flow_filelinking.yaml 0000644 0000000 0000000 00000011617 14622715316 013777 0 ustar root root - parameter: inputfeatures
target: inputfeatures/10_FE_MZmine_forGNPS_quant.csv
- parameter: inputspectra
target: inputspectra/10_FE_MZmine_forGNPS.mgf
- parameter: metadata_filename
target: metadata_filename/10_FE_GNPS_Metadata.txt
- 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/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/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 14622715316 012756 5 ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf 0000777 0000000 0000000 00000000000 14622715315 034263 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgf ustar root root input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 034031 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 040211 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf ustar root root input_libraries/BERKELEY-LAB.mgf 0000777 0000000 0000000 00000000000 14622715315 031153 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf 0000777 0000000 0000000 00000000000 14622715316 034400 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgf ustar root root input_libraries/LDB_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14622715316 031326 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgf ustar root root input_libraries/PNNL-LIPIDS-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 033541 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgf ustar root root input_libraries/CMMC-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 031221 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgf ustar root root input_libraries/MASSBANKEU.mgf 0000777 0000000 0000000 00000000000 14622715315 030641 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgf ustar root root input_libraries/UM-NPDC.mgf 0000777 0000000 0000000 00000000000 14622715315 027665 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgf ustar root root input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 035207 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf 0000777 0000000 0000000 00000000000 14622715315 035551 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgf ustar root root input_libraries/MIADB.mgf 0000777 0000000 0000000 00000000000 14622715315 027207 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgf ustar root root input_libraries/GNPS-NIST14-MATCHES.mgf 0000777 0000000 0000000 00000000000 14622715315 033101 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgf ustar root root input_libraries/GNPS-FAULKNERLEGACY.mgf 0000777 0000000 0000000 00000000000 14622715315 033261 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgf ustar root root input_libraries/MONA.mgf 0000777 0000000 0000000 00000000000 14622715315 027043 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgf ustar root root input_libraries/LDB_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 031425 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgf ustar root root input_libraries/PNNL-LIPIDS-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 033441 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf 0000777 0000000 0000000 00000000000 14622715315 034763 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgf ustar root root input_libraries/IQAMDB.mgf 0000777 0000000 0000000 00000000000 14622715315 027451 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgf ustar root root input_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 035757 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf ustar root root input_libraries/CASMI.mgf 0000777 0000000 0000000 00000000000 14622715315 027247 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 040111 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf ustar root root input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf 0000777 0000000 0000000 00000000000 14622715315 033751 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgf ustar root root input_libraries/GNPS-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 031301 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf 0000777 0000000 0000000 00000000000 14622715315 034457 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgf ustar root root input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 037031 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf ustar root root input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 036757 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf 0000777 0000000 0000000 00000000000 14622715315 034203 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.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 14622715316 042142 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar root root input_libraries/GNPS-SCIEX-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715316 033024 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgf ustar root root input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 036545 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf ustar root root input_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 036057 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.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 14622715315 043030 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar root root input_libraries/RESPECT.mgf 0000777 0000000 0000000 00000000000 14622715315 027771 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgf ustar root root input_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 035603 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgf ustar root root input_libraries/NEO-MSMS.mgf 0000777 0000000 0000000 00000000000 14622715315 030153 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgf ustar root root input_libraries/LEAFBOT.mgf 0000777 0000000 0000000 00000000000 14622715315 027707 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgf ustar root root input_libraries/XANTHONES-DB.mgf 0000777 0000000 0000000 00000000000 14622715315 031243 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgf ustar root root input_libraries/ELIXDB-LICHEN-DATABASE.mgf 0000777 0000000 0000000 00000000000 14622715315 033701 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgf ustar root root input_libraries/MMV_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 031421 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgf ustar root root input_libraries/BMDMS-NP.mgf 0000777 0000000 0000000 00000000000 14622715315 030111 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf 0000777 0000000 0000000 00000000000 14622715315 034761 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgf ustar root root input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf 0000777 0000000 0000000 00000000000 14622715315 034561 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.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 14622715315 042730 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf 0000777 0000000 0000000 00000000000 14622715315 035547 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgf ustar root root input_libraries/GNPS-MSMLS.mgf 0000777 0000000 0000000 00000000000 14622715315 030657 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgf ustar root root input_libraries/PHENOLICSDB.mgf 0000777 0000000 0000000 00000000000 14622715315 031043 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgf ustar root root input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 035625 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf ustar root root input_libraries/BILELIB19.mgf 0000777 0000000 0000000 00000000000 14622715315 030207 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgf ustar root root input_libraries/GNPS-EMBL-MCF.mgf 0000777 0000000 0000000 00000000000 14622715315 031335 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgf ustar root root input_libraries/GNPS-IOBA-NHC.mgf 0000777 0000000 0000000 00000000000 14622715315 031331 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgf ustar root root input_libraries/MMV_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14622715315 031521 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgf ustar root root input_libraries/HMDB.mgf 0000777 0000000 0000000 00000000000 14622715315 027003 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgf ustar root root input_libraries/GNPS-COLLECTIONS-MISC.mgf 0000777 0000000 0000000 00000000000 14622715315 033707 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgf ustar root root input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0000777 0000000 0000000 00000000000 14622715316 040146 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf ustar root root input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14622715315 035517 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf ustar root root input_libraries/SUMNER.mgf 0000777 0000000 0000000 00000000000 14622715315 027601 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgf ustar root root input_libraries/PSU-MSMLS.mgf 0000777 0000000 0000000 00000000000 14622715315 030457 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgf ustar root root input_libraries/MASSBANK.mgf 0000777 0000000 0000000 00000000000 14622715315 030155 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgf ustar root root input_raw_spectra/ 0000755 0000000 0000000 00000000000 14622715316 013314 5 ustar root root input_supplemental_edges/ 0000755 0000000 0000000 00000000000 14622715316 014662 5 ustar root root inputfeatures/ 0000755 0000000 0000000 00000000000 14622715315 012460 5 ustar root root inputfeatures/10_FE_MZmine_forGNPS_quant.csv 0000777 0000000 0000000 00000000000 14622715315 037320 2/data/nf_data/useruploads/agentile/Alpha_10_FE_FBMNxIIN/10_FE_MZmine_forGNPS_quant.csv ustar root root inputspectra/ 0000755 0000000 0000000 00000000000 14622715315 012303 5 ustar root root inputspectra/10_FE_MZmine_forGNPS.mgf 0000777 0000000 0000000 00000000000 14622715315 034457 2/data/nf_data/useruploads/agentile/Alpha_10_FE_FBMNxIIN/10_FE_MZmine_forGNPS.mgf ustar root root job_dag.html 0000644 0000000 0000000 00000021514 14622716056 012043 0 ustar root root
Nextflow Cytoscape.js with Dagre
Nextflow Cytoscape.js with Dagre
job_parameters.yaml 0000644 0000000 0000000 00000002541 14622715316 013446 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: 2764b6ddad5644158b79fbd330e93bb6
OMETAUSER: admin
create_time: 2024-05-20 11:54:37 PDT-0700
description: 20240520_10FE_Test [1]
featurefindingtool: MZMINE
fragment_tolerance: '0.5'
input_libraries: /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/input_libraries
input_raw_spectra: NO_FILE
input_supplemental_edges: NO_FILE
inputfeatures: /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/inputfeatures/10_FE_MZmine_forGNPS_quant.csv
inputspectra: /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/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/2764b6ddad5644158b79fbd330e93bb6/metadata_filename/10_FE_GNPS_Metadata.txt
min_peak_intensity: '0.0'
networking_max_shift: '1999'
networking_min_cosine: '0.7'
networking_min_matched_peaks: '6'
normalization: None
pm_tolerance: '2.0'
precursor_filter: 'yes'
publishdir: /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6
task: 2764b6ddad5644158b79fbd330e93bb6
window_filter: 'yes'
workflow_version: SERVER:0.1.2;WORKFLOW:2024.05.20
workflowname: feature_based_molecular_networking_workflow
job_report.html 0000644 0000000 0000000 00013676152 14622716056 012645 0 ustar root root
[sad_meninsky] Nextflow Workflow Report
Nextflow Report
Nextflow workflow report
[sad_meninsky]
Workflow execution completed successfully!
Run times
20-May-2024 18:54:40 - 20-May-2024 19:00:29
( duration: 5m 49s )
132 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/2764b6ddad5644158b79fbd330e93bb6/job_parameters.yaml -w /data/nf_data/server/nf_work/2764b6ddad5644158b79fbd330e93bb6 -with-report /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_report.html -with-timeline /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/2764b6ddad5644158b79fbd330e93bb6' -c /app/launchserver/nextflow.config
CPU-Hours
0.3
Launch directory
/data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6
Work directory
/data/nf_data/server/nf_work/2764b6ddad5644158b79fbd330e93bb6
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
7e0a32c1a85f47d9d7b672580d0f5461
Workflow session
b1865218-436f-4492-9205-2c903c097d9f
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 00001071402 14622716056 013120 0 ustar root root
Processes execution timeline
Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)
metadata_filename/ 0000755 0000000 0000000 00000000000 14622715315 013202 5 ustar root root metadata_filename/10_FE_GNPS_Metadata.txt 0000777 0000000 0000000 00000000000 14622715315 035116 2/data/nf_data/useruploads/agentile/Alpha_10_FE_FBMNxIIN/10_FE_GNPS_Metadata.txt ustar root root nextflow_stdout.log 0000644 0000000 0000000 00000166144 14622716056 013554 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` [sad_meninsky] - revision: 7e0a32c1a8
[- ] process > filesummary -
[- ] process > quantification_table_reform... -
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[- ] process > filesummary -
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[- ] process > librarygetGNPSAnnotations -
[- ] process > networkingGNPSPrepParams -
[- ] process > calculatePairs -
[- ] process > filterNetwork -
[- ] process > createMetadataFile -
[- ] process > calculateGroupings -
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (7)
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[a2/74ec41] process > summaryLibrary (32) [ 0%] 0 of 45
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executor > local (29)
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[de/e7725d] process > summaryLibrary (28) [ 0%] 0 of 60
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executor > local (44)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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executor > local (58)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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executor > local (61)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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executor > local (63)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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[7c/07d58e] process > summaryLibrary (21) [ 0%] 0 of 60
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executor > local (63)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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[55/8d742e] process > summaryLibrary (3) [ 10%] 6 of 60
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[30/c81c46] process > createMetadataFile [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (63)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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[fe/b4bb57] process > summaryLibrary (23) [ 21%] 13 of 60
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executor > local (63)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1
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[86/1162ac] process > summaryLibrary (52) [ 45%] 27 of 60
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executor > local (63)
[7f/68ef19] process > filesummary (1) [ 0%] 0 of 1 ✔
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[41/962fca] process > summaryLibrary (12) [ 68%] 41 of 60
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[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[- ] process > calculateGroupings -
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [ 0%] 0 of 1
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[7c/07d58e] process > summaryLibrary (21) [ 80%] 48 of 60
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[93/28a29a] process > summaryLibrary (18) [ 86%] 52 of 60
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[b4/9a016e] process > summaryLibrary (50) [ 88%] 53 of 60
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executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[1b/c7b1e8] process > summaryLibrary (36) [ 90%] 54 of 60
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [ 0%] 0 of 1
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[78/2ea8b2] process > summaryLibrary (60) [ 91%] 55 of 60
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [ 0%] 0 of 1
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[a6/3e07ba] process > summaryLibrary (7) [ 95%] 57 of 60
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (65)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
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[dd/86f2ec] process > summaryLibrary (25) [ 96%] 58 of 60
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[- ] process > createNetworkGraphML -
executor > local (84)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
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[dd/86f2ec] process > summaryLibrary (25) [ 96%] 58 of 60
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executor > local (106)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1
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executor > local (126)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1
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[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
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executor > local (126)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[4f/52669b] process > librarySearchData (41) [ 0%] 0 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [ 0%] 0 of 1 ✔
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[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[4f/52669b] process > librarySearchData (41) [ 0%] 0 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
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executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[2a/281842] process > librarySearchData (31) [ 3%] 2 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
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[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[dd/f7562d] process > librarySearchData (54) [ 5%] 3 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
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executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[24/81368a] process > librarySearchData (37) [ 15%] 9 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
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executor > local (127)
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[0c/243198] process > librarySearchData (38) [ 28%] 17 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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executor > local (127)
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[0d/03d699] process > librarySearchData (10) [ 50%] 30 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
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[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
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[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[b3/f83312] process > librarySearchData (58) [ 53%] 32 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
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[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
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[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[69/c22d59] process > librarySearchData (1) [ 56%] 34 of 60
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[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
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[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[35/2bdd35] process > librarySearchData (5) [ 58%] 35 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[d1/e578dd] process > librarySearchData (11) [ 60%] 36 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[b0/9b24a8] process > librarySearchData (33) [ 61%] 37 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
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[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[7c/5b82a0] process > librarySearchData (13) [ 63%] 38 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[cc/70754d] process > librarySearchData (55) [ 65%] 39 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[58/df5e26] process > librarySearchData (30) [ 66%] 40 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
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[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[ac/5944fe] process > librarySearchData (18) [ 70%] 42 of 60
[- ] process > librarymergeResults -
[7f/26c5e5] process > summaryLibrary (42) [ 98%] 59 of 60
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[68/85fc27] process > librarySearchData (46) [ 71%] 43 of 60
[- ] process > librarymergeResults -
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[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[ac/b83dce] process > librarySearchData (2) [ 73%] 44 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [ 0%] 0 of 1
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (127)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[05/e8d6f3] process > librarySearchData (4) [ 76%] 46 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[- ] process > filterNetwork -
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[05/e8d6f3] process > librarySearchData (4) [ 76%] 46 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [ 0%] 0 of 1
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[45/11e121] process > librarySearchData (16) [ 78%] 47 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [ 0%] 0 of 1
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[45/11e121] process > librarySearchData (16) [ 78%] 47 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[e6/71b843] process > librarySearchData (19) [ 80%] 48 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[76/e91c5d] process > librarySearchData (43) [ 81%] 49 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[f0/6242ab] process > librarySearchData (15) [ 83%] 50 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[e4/de4d9f] process > librarySearchData (59) [ 85%] 51 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
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[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[aa/372ac8] process > librarySearchData (7) [ 86%] 52 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[52/d8e069] process > librarySearchData (50) [ 88%] 53 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[78/5fd60c] process > librarySearchData (42) [ 90%] 54 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[36/55898b] process > librarySearchData (29) [ 91%] 55 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [ 0%] 0 of 1
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[36/55898b] process > librarySearchData (29) [ 91%] 55 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[88/893452] process > librarySearchData (28) [ 95%] 57 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[7b/eddc4a] process > librarySearchData (36) [ 96%] 58 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[0b/b74a17] process > librarySearchData (25) [ 98%] 59 of 60
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (128)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[- ] process > librarymergeResults -
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (129)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [ 0%] 0 of 1
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[- ] process > librarygetGNPSAnnotations -
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (130)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (130)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[5e/d974ba] process > enrichClusterSummary (1) [ 0%] 0 of 1
[- ] process > createNetworkGraphML -
executor > local (132)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[5e/d974ba] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[5d/e8ad49] process > createNetworkGraphML (1) [ 0%] 0 of 1
executor > local (132)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[5e/d974ba] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[5d/e8ad49] process > createNetworkGraphML (1) [ 0%] 0 of 1
executor > local (132)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[5e/d974ba] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[5d/e8ad49] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
executor > local (132)
[7f/68ef19] process > filesummary (1) [100%] 1 of 1 ✔
[71/275017] process > quantification_table_reform... [100%] 1 of 1 ✔
[49/2a885c] process > filter_spectra (1) [100%] 1 of 1 ✔
[23/3980eb] process > librarySearchData (17) [100%] 60 of 60 ✔
[7c/33d120] process > librarymergeResults [100%] 1 of 1 ✔
[03/50e10a] process > summaryLibrary (14) [100%] 60 of 60 ✔
[66/b22a73] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[5b/06f41e] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[ea/ac4338] process > calculatePairs (1) [100%] 1 of 1 ✔
[76/209fc8] process > filterNetwork (1) [100%] 1 of 1 ✔
[30/c81c46] process > createMetadataFile [100%] 1 of 1 ✔
[29/280b2f] process > calculateGroupings (1) [100%] 1 of 1 ✔
[5e/d974ba] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[5d/e8ad49] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
Completed at: 20-May-2024 19:00:30
Duration : 5m 49s
CPU hours : 0.3
Succeeded : 132
nf_cmd.sh 0000644 0000000 0000000 00000001201 14622715316 011337 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/2764b6ddad5644158b79fbd330e93bb6/job_parameters.yaml -w /data/nf_data/server/nf_work/2764b6ddad5644158b79fbd330e93bb6 -with-report /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_report.html -with-timeline /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/2764b6ddad5644158b79fbd330e93bb6/job_dag.html -with-weblog http://localhost:4000/nf_weblog/2764b6ddad5644158b79fbd330e93bb6 -c /app/launchserver/nextflow.config nf_output/ 0000755 0000000 0000000 00000000000 14622716050 011602 5 ustar root root nf_output/temp_pairs/ 0000755 0000000 0000000 00000000000 14622715344 013752 5 ustar root root nf_output/temp_pairs/0.params_aligns.tsv 0000644 0000000 0000000 00007076046 14622715344 017512 0 ustar root root CLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3
1 382 0.000 0.000 0.9348 0.7739 1
1 833 18.023 0.000 0.8496 0.6383 1
2 4 15.023 0.000 0.8649 0.6955 1
3 391 27.865 0.000 0.8085 0.7164 1
3 419 27.889 0.000 0.7331 0.6306 1
4 801 -148.049 0.000 0.7620 0.5110 1
5 6 -324.109 0.000 0.9612 0.8936 1
5 11 1945.634 0.000 0.8816 0.6696 1
5 12 1621.529 0.000 0.8785 0.6518 1
6 12 1945.638 0.000 0.8481 0.6074 1
10 11 -162.050 0.000 0.9540 0.8079 1
10 12 -486.156 0.000 0.9376 0.7741 1
11 12 -324.105 0.000 0.9486 0.8150 1
14 16 31.950 0.000 0.8953 0.8040 1
14 20 104.904 0.000 0.7013 0.6314 1
14 23 15.972 0.000 0.8327 0.6852 1
14 415 -50.191 0.000 0.8360 0.6572 1
14 621 -64.206 0.000 0.8318 0.6606 1
15 18 161.552 0.000 0.8668 0.7539 1
16 20 72.954 0.000 0.7620 0.7103 1
16 23 -15.978 0.000 0.7590 0.7358 1
16 415 -82.141 0.000 0.8778 0.7093 1
16 621 -96.156 0.000 0.8654 0.6561 1
17 415 -171.072 0.000 0.7398 0.5538 1
17 621 -185.088 0.000 0.7391 0.5456 1
20 23 -88.931 0.000 0.7439 0.6969 1
20 415 -155.094 0.000 0.7946 0.6819 1
20 621 -169.110 0.000 0.7847 0.5886 1
20 1120 -212.191 0.000 0.7384 0.5376 1
20 1143 -226.207 0.000 0.7776 0.5278 1
20 1146 -792.607 0.000 0.8198 0.4418 1
20 1165 -240.223 0.000 0.7418 0.5042 1
21 22 -18.011 0.000 0.8915 0.6802 1
21 23 -41.027 0.000 0.9049 0.7643 1
21 24 -59.037 0.000 0.8392 0.5948 1
21 25 -170.984 0.000 0.8049 0.5689 1
22 23 -23.016 0.000 0.8767 0.6584 1
22 24 -41.027 0.000 0.8761 0.6657 1
22 25 -152.974 0.000 0.7970 0.5978 1
22 262 33.821 0.000 0.7307 0.6141 1
22 365 17.789 0.000 0.7361 0.5098 1
22 473 -16.148 0.000 0.7377 0.4932 1
22 536 22.906 0.000 0.7078 0.4527 1
22 788 -202.143 0.000 0.7298 0.5481 1
23 24 -18.011 0.000 0.8031 0.6127 1
23 25 -129.958 0.000 0.8405 0.6560 1
23 415 -66.163 0.000 0.7913 0.6194 1
23 621 -80.179 0.000 0.7958 0.5832 1
24 25 -111.947 0.000 0.8560 0.6836 1
30 39 71.037 0.000 0.8781 0.6834 1
30 44 -84.991 0.000 0.7125 0.5451 1
30 45 56.996 0.000 0.7040 0.5238 1
30 56 32.097 0.000 0.7056 0.4997 1
30 60 43.104 0.000 0.7581 0.5062 1
30 61 -118.949 0.000 0.7028 0.2799 1
30 68 87.080 0.000 0.8154 0.6839 1
30 70 37.053 0.000 0.7003 0.6026 1
30 76 84.044 0.000 0.7222 0.4665 1
30 78 -11.989 0.000 0.7456 0.6458 1
30 82 28.110 0.000 0.7168 0.3342 1
30 101 60.049 0.000 0.7059 0.3629 1
30 102 -39.995 0.000 0.8738 0.6981 1
30 103 71.048 0.000 0.7790 0.7834 1
30 114 50.092 0.000 0.7542 0.3994 1
30 116 57.033 0.000 0.7997 0.5421 1
30 117 72.069 0.000 0.7390 0.5470 1
30 134 15.059 0.000 0.7098 0.6436 1
30 165 88.064 0.000 0.7331 0.6495 1
30 166 17.038 0.000 0.7123 0.6622 1
30 168 19.054 0.000 0.7271 0.6005 1
30 174 37.028 0.000 0.7700 0.4377 1
30 175 16.043 0.000 0.7407 0.6810 1
30 178 33.033 0.000 0.7828 0.4254 1
30 180 51.043 0.000 0.7220 0.3765 1
30 182 20.001 0.000 0.7770 0.6125 1
30 184 -10.957 0.000 0.7840 0.6812 1
30 188 5.001 0.000 0.7409 0.3854 1
30 190 72.033 0.000 0.7317 0.5968 1
30 192 45.069 0.000 0.8152 0.6436 1
30 205 -8.005 0.000 0.7723 0.4883 1
30 209 2.038 0.000 0.7187 0.6577 1
30 213 -109.041 0.000 0.7808 0.3536 1
30 216 77.059 0.000 0.8456 0.6086 1
30 227 -0.952 0.000 0.7803 0.5835 1
30 257 -6.960 0.000 0.7298 0.3718 1
30 260 60.032 0.000 0.7341 0.4893 1
30 261 -188.991 0.000 0.7402 0.4250 1
30 280 65.059 0.000 0.7776 0.5256 1
30 288 -37.954 0.000 0.7700 0.4817 1
30 295 77.059 0.000 0.8235 0.4610 1
30 298 76.056 0.000 0.7774 0.6016 1
30 307 -2.928 0.000 0.7179 0.3302 1
30 320 4.056 0.000 0.7200 0.6642 1
30 324 3.970 0.000 0.7007 0.5568 1
30 342 -7.994 0.000 0.7227 0.5309 1
30 343 -29.976 0.000 0.7320 0.4073 1
30 348 -172.996 0.000 0.7330 0.4252 1
30 349 -3.960 0.000 0.7408 0.3421 1
30 356 -24.036 0.000 0.7815 0.5711 1
30 368 -58.021 0.000 0.7119 0.5808 1
30 373 51.043 0.000 0.7850 0.4483 1
30 380 -24.916 0.000 0.7372 0.3314 1
30 383 -111.987 0.000 0.7165 0.5451 1
30 386 -43.991 0.000 0.7007 0.3141 1
30 387 3.022 0.000 0.7493 0.5867 1
30 406 23.098 0.000 0.7085 0.2967 1
30 414 49.028 0.000 0.7925 0.5426 1
30 418 77.023 0.000 0.7131 0.5249 1
30 456 -145.001 0.000 0.7342 0.4008 1
30 474 65.059 0.000 0.7567 0.3880 1
30 482 -406.072 0.000 0.7285 0.3811 1
30 515 -80.999 0.000 0.7173 0.5395 1
30 520 -18.960 0.000 0.7296 0.3897 1
30 544 -95.941 0.000 0.7027 0.4676 1
30 596 -187.012 0.000 0.7724 0.4350 1
30 599 62.061 0.000 0.7107 0.4329 1
30 617 35.012 0.000 0.7420 0.3817 1
30 618 34.009 0.000 0.7023 0.3474 1
30 646 -291.067 0.000 0.7489 0.4941 1
30 647 -47.977 0.000 0.7087 0.5583 1
30 691 -8.909 0.000 0.7205 0.5352 1
30 711 -305.082 0.000 0.7271 0.4011 1
30 723 -381.089 0.000 0.7288 0.4998 1
30 724 -379.083 0.000 0.7176 0.4440 1
30 748 -20.871 0.000 0.7010 0.2766 1
30 754 -349.073 0.000 0.7021 0.4092 1
30 786 -38.920 0.000 0.7022 0.4595 1
30 787 -49.970 0.000 0.7228 0.3085 1
30 791 -18.951 0.000 0.7134 0.5605 1
30 877 -38.920 0.000 0.7288 0.5750 1
30 1003 -38.175 0.000 0.7076 0.3267 1
30 1045 -66.206 0.000 0.7013 0.2664 1
30 1114 -179.131 0.000 0.7064 0.3193 1
30 1134 -90.156 0.000 0.7215 0.3883 1
30 1136 -36.066 0.000 0.7004 0.4128 1
30 1167 -38.139 0.000 0.7193 0.4280 1
30 1178 -10.107 0.000 0.7652 0.4423 1
30 1262 -66.170 0.000 0.7071 0.2832 1
30 1281 -38.139 0.000 0.7290 0.3471 1
30 1290 -94.201 0.000 0.7012 0.3428 1
30 1436 -385.371 0.000 0.7382 0.2768 1
30 1448 -387.386 0.000 0.7400 0.3439 1
30 1477 -387.387 0.000 0.7366 0.2517 1
30 1525 -290.420 0.000 0.7013 0.2704 1
31 38 110.084 0.000 0.7901 0.5564 1
31 70 57.058 0.000 0.8165 0.6605 1
31 78 8.016 0.000 0.8081 0.6616 1
31 149 30.039 0.000 0.7489 0.5773 1
31 150 31.042 0.000 0.7661 0.5113 1
31 176 114.104 0.000 0.7286 0.4765 1
31 182 40.006 0.000 0.7753 0.6019 1
31 184 9.048 0.000 0.7277 0.6836 1
31 212 15.011 0.000 0.7920 0.5586 1
31 312 -8.945 0.000 0.7041 0.4744 1
31 320 24.061 0.000 0.7486 0.6693 1
31 324 23.975 0.000 0.8068 0.6023 1
31 335 -10.009 0.000 0.8218 0.6364 1
31 343 -9.971 0.000 0.7552 0.4867 1
31 366 -18.974 0.000 0.7871 0.5746 1
31 387 23.027 0.000 0.7369 0.6193 1
31 398 -9.973 0.000 0.7104 0.4603 1
32 78 51.021 0.000 0.7022 0.5399 1
32 209 65.048 0.000 0.7133 0.6226 1
32 294 65.048 0.000 0.7026 0.5216 1
33 37 162.053 0.000 0.7247 0.7608 1
33 40 324.106 0.000 0.7109 0.6908 1
34 37 324.106 0.000 0.7154 0.7287 1
36 60 133.113 0.000 0.7191 0.4316 1
36 263 98.097 0.000 0.7159 0.3310 1
36 348 -82.987 0.000 0.7075 0.3299 1
36 386 46.018 0.000 0.7017 0.2768 1
36 683 51.092 0.000 0.7075 0.2805 1
36 748 69.139 0.000 0.7090 0.2636 1
36 750 167.079 0.000 0.7401 0.4459 1
36 784 -224.230 0.000 0.7057 0.4490 1
36 787 40.040 0.000 0.7058 0.2670 1
36 791 71.058 0.000 0.7005 0.3887 1
36 814 -44.966 0.000 0.7046 0.2813 1
36 819 -62.177 0.000 0.7362 0.5201 1
36 820 -26.103 0.000 0.7081 0.6062 1
36 877 51.090 0.000 0.7076 0.4807 1
36 887 -62.076 0.000 0.7068 0.3209 1
36 994 -130.166 0.000 0.7161 0.4909 1
36 998 -112.119 0.000 0.7034 0.5326 1
36 1003 51.834 0.000 0.7000 0.3605 1
36 1019 9.787 0.000 0.7067 0.2773 1
36 1039 -49.127 0.000 0.7151 0.2955 1
36 1045 23.803 0.000 0.7126 0.2956 1
36 1054 -5.101 0.000 0.7033 0.2540 1
36 1057 -49.127 0.000 0.7057 0.3274 1
36 1077 18.959 0.000 0.7064 0.2959 1
36 1167 51.871 0.000 0.7112 0.4102 1
36 1246 37.855 0.000 0.7162 0.3084 1
36 1255 9.824 0.000 0.7406 0.4328 1
36 1259 -2.176 0.000 0.7043 0.5850 1
36 1262 23.839 0.000 0.7231 0.3375 1
36 1281 51.871 0.000 0.7365 0.4092 1
36 1290 -4.192 0.000 0.7322 0.4088 1
36 1378 -77.212 0.000 0.7250 0.6255 1
36 1384 -279.330 0.000 0.7015 0.2629 1
36 1391 -227.338 0.000 0.7245 0.5183 1
36 1398 -267.330 0.000 0.7241 0.2690 1
36 1399 -273.380 0.000 0.7344 0.4498 1
36 1412 -241.353 0.000 0.7324 0.5030 1
36 1424 -215.338 0.000 0.7037 0.4121 1
36 1430 -229.353 0.000 0.7262 0.4503 1
36 1431 -255.369 0.000 0.7382 0.5283 1
36 1440 -269.346 0.000 0.7427 0.4047 1
36 1449 -243.369 0.000 0.7302 0.4495 1
36 1476 -257.384 0.000 0.7295 0.4687 1
36 1495 -256.370 0.000 0.7051 0.3753 1
36 1513 -269.382 0.000 0.7078 0.2889 1
37 40 162.053 0.000 0.7779 0.7573 1
38 68 -3.000 0.000 0.8182 0.7985 1
38 70 -53.027 0.000 0.8391 0.7193 1
38 149 -80.046 0.000 0.7828 0.5854 1
38 150 -79.042 0.000 0.8419 0.6615 1
38 165 -2.016 0.000 0.7915 0.7149 1
38 176 4.020 0.000 0.7336 0.7036 1
38 196 -32.015 0.000 0.7167 0.5967 1
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1504 1524 -116.099 0.000 0.7202 0.5837 1
1504 1527 -19.042 0.000 0.7189 0.6811 1
1504 1544 -4.031 0.000 0.8875 0.7412 1
1506 1507 1.004 0.000 0.8188 0.4882 1
1506 1508 48.982 0.000 0.7277 0.3691 1
1506 1513 90.993 0.000 0.7303 0.3393 1
1506 1515 187.996 0.000 0.7089 0.3686 1
1506 1516 -165.117 0.000 0.7418 0.3272 1
1506 1518 -14.125 0.000 0.8982 0.8551 1
1506 1521 -141.118 0.000 0.7170 0.3303 1
1506 1523 76.977 0.000 0.7431 0.3968 1
1506 1525 159.965 0.000 0.7116 0.3322 1
1506 1529 -1.012 0.000 0.7499 0.3791 1
1506 1531 25.004 0.000 0.7307 0.3166 1
1506 1534 -141.117 0.000 0.7223 0.3447 1
1506 1543 -3.028 0.000 0.7443 0.3536 1
1506 1551 239.264 0.000 0.7570 0.2934 1
1507 1510 -290.172 0.000 0.8453 0.4438 1
1507 1513 89.990 0.000 0.9021 0.5291 1
1507 1515 186.993 0.000 0.8904 0.4827 1
1507 1523 75.974 0.000 0.9098 0.5516 1
1507 1526 -167.989 0.000 0.7361 0.3359 1
1507 1529 -2.016 0.000 0.9741 0.7580 1
1507 1531 24.000 0.000 0.9172 0.5964 1
1507 1539 10.023 0.000 0.8040 0.4229 1
1507 1543 -4.031 0.000 0.9718 0.7322 1
1507 1545 -210.036 0.000 0.7362 0.3066 1
1508 1510 -338.151 0.000 0.8278 0.4647 1
1508 1513 42.011 0.000 0.9074 0.5539 1
1508 1515 139.014 0.000 0.9012 0.4831 1
1508 1516 -214.099 0.000 0.8861 0.5503 1
1508 1521 -190.100 0.000 0.9173 0.5916 1
1508 1523 27.995 0.000 0.9289 0.6282 1
1508 1525 110.982 0.000 0.9249 0.6112 1
1508 1526 -215.968 0.000 0.7354 0.3062 1
1508 1529 -49.994 0.000 0.9200 0.5763 1
1508 1531 -23.979 0.000 0.9291 0.6540 1
1508 1532 -229.983 0.000 0.7372 0.2933 1
1508 1534 -190.100 0.000 0.9178 0.5763 1
1508 1539 -37.956 0.000 0.8230 0.4957 1
1508 1543 -52.010 0.000 0.9224 0.6115 1
1508 1546 -249.987 0.000 0.7313 0.3434 1
1508 1551 190.281 0.000 0.9061 0.5018 1
1509 1511 17.026 0.000 0.9600 0.6414 1
1510 1511 21.982 0.000 0.8182 0.5604 1
1510 1515 477.165 0.000 0.8171 0.4831 1
1510 1521 148.051 0.000 0.8360 0.4242 1
1510 1523 366.146 0.000 0.8375 0.4835 1
1510 1529 288.157 0.000 0.8485 0.4346 1
1510 1531 314.172 0.000 0.8360 0.4242 1
1510 1534 148.051 0.000 0.8364 0.4235 1
1510 1539 300.195 0.000 0.7387 0.4390 1
1510 1543 286.141 0.000 0.8412 0.4242 1
1513 1515 97.003 0.000 0.8917 0.4868 1
1513 1516 -256.110 0.000 0.8893 0.5279 1
1513 1521 -232.111 0.000 0.9048 0.5279 1
1513 1523 -14.016 0.000 0.9201 0.5662 1
1513 1525 68.971 0.000 0.9150 0.6241 1
1513 1526 -257.979 0.000 0.7264 0.2824 1
1513 1529 -92.005 0.000 0.9126 0.5557 1
1513 1531 -65.990 0.000 0.9184 0.5670 1
1513 1532 -271.994 0.000 0.7336 0.2834 1
1513 1534 -232.111 0.000 0.9063 0.5279 1
1513 1539 -79.967 0.000 0.8258 0.5137 1
1513 1543 -94.021 0.000 0.9123 0.5543 1
1513 1545 -300.026 0.000 0.7413 0.2999 1
1514 1516 -4.142 0.000 0.8175 0.6052 1
1514 1521 19.857 0.000 0.7060 0.4722 1
1514 1526 -6.010 0.000 0.8788 0.6348 1
1514 1532 -20.026 0.000 0.8782 0.6212 1
1514 1543 157.947 0.000 0.7038 0.3771 1
1514 1545 -48.058 0.000 0.8593 0.6298 1
1515 1521 -329.114 0.000 0.8963 0.5032 1
1515 1523 -111.019 0.000 0.9115 0.5006 1
1515 1525 -28.032 0.000 0.9399 0.6677 1
1515 1526 -354.982 0.000 0.7240 0.2878 1
1515 1531 -162.993 0.000 0.9040 0.5032 1
1515 1532 -368.997 0.000 0.7298 0.2791 1
1515 1539 -176.970 0.000 0.8012 0.4509 1
1515 1545 -397.029 0.000 0.7287 0.3170 1
1515 1551 51.267 0.000 0.9033 0.4760 1
1516 1521 23.999 0.000 0.9130 0.6702 1
1516 1523 242.094 0.000 0.8984 0.5801 1
1516 1525 325.082 0.000 0.8838 0.5528 1
1516 1526 -1.868 0.000 0.8344 0.5018 1
1516 1529 164.105 0.000 0.8981 0.5795 1
1516 1531 190.121 0.000 0.9078 0.6202 1
1516 1532 -15.883 0.000 0.7965 0.4234 1
1516 1534 24.000 0.000 0.9124 0.6415 1
1516 1539 176.143 0.000 0.8144 0.4572 1
1516 1543 162.089 0.000 0.8958 0.5528 1
1516 1545 -43.915 0.000 0.8086 0.4285 1
1516 1546 -35.887 0.000 0.7163 0.3261 1
1521 1523 218.095 0.000 0.9201 0.6130 1
1521 1525 301.082 0.000 0.9187 0.6317 1
1521 1526 -25.867 0.000 0.7353 0.3390 1
1521 1529 140.106 0.000 0.9357 0.6928 1
1521 1531 166.121 0.000 0.9274 0.6437 1
1521 1532 -39.883 0.000 0.7532 0.3520 1
1521 1534 0.000 0.000 0.9862 0.8306 1
1521 1539 152.144 0.000 0.8087 0.4386 1
1521 1543 138.090 0.000 0.9317 0.6502 1
1521 1546 -59.886 0.000 0.7404 0.3563 1
1523 1525 82.987 0.000 0.9283 0.6236 1
1523 1526 -243.963 0.000 0.7388 0.2931 1
1523 1529 -77.989 0.000 0.9233 0.5974 1
1523 1531 -51.974 0.000 0.9284 0.5978 1
1523 1532 -257.978 0.000 0.7478 0.3062 1
1523 1534 -218.095 0.000 0.9224 0.5978 1
1523 1539 -65.951 0.000 0.8273 0.5170 1
1523 1543 -80.005 0.000 0.9238 0.6113 1
1523 1545 -286.010 0.000 0.7846 0.4211 1
1523 1546 -277.982 0.000 0.7417 0.3576 1
1525 1526 -326.950 0.000 0.7293 0.2749 1
1525 1529 -160.977 0.000 0.9218 0.6117 1
1525 1531 -134.961 0.000 0.9247 0.6392 1
1525 1534 -301.082 0.000 0.9176 0.5971 1
1525 1543 -162.992 0.000 0.9187 0.5971 1
1525 1545 -368.997 0.000 0.7388 0.3147 1
1525 1546 -360.969 0.000 0.7276 0.3147 1
1526 1531 191.989 0.000 0.7360 0.2893 1
1526 1532 -14.015 0.000 0.9401 0.7657 1
1526 1534 25.868 0.000 0.7318 0.2738 1
1526 1543 163.958 0.000 0.7292 0.2711 1
1526 1545 -42.047 0.000 0.9119 0.7033 1
1526 1551 406.249 0.000 0.7546 0.3126 1
1527 1528 -2.007 0.000 0.7632 0.6642 1
1527 1530 26.016 0.000 0.9161 0.8491 1
1527 1542 -2.016 0.000 0.9053 0.8229 1
1528 1530 28.023 0.000 0.7353 0.6356 1
1528 1542 -0.009 0.000 0.7592 0.6475 1
1528 1544 17.018 0.000 0.7864 0.7066 1
1529 1531 26.016 0.000 0.9327 0.6780 1
1529 1534 -140.105 0.000 0.9325 0.6648 1
1529 1539 12.038 0.000 0.8131 0.4423 1
1529 1543 -2.016 0.000 0.9850 0.8231 1
1529 1546 -199.992 0.000 0.7422 0.3393 1
1530 1542 -28.031 0.000 0.9457 0.8619 1
1530 1544 -11.005 0.000 0.7473 0.7296 1
1531 1534 -166.121 0.000 0.9312 0.6396 1
1531 1539 -13.977 0.000 0.8257 0.4398 1
1531 1543 -28.031 0.000 0.9330 0.6756 1
1532 1534 39.883 0.000 0.7470 0.2824 1
1532 1543 177.973 0.000 0.7411 0.2932 1
1532 1545 -28.032 0.000 0.9307 0.7764 1
1532 1546 -20.004 0.000 0.7026 0.5140 1
1532 1551 420.264 0.000 0.7409 0.2746 1
1534 1539 152.144 0.000 0.8111 0.4699 1
1534 1543 138.090 0.000 0.9274 0.6344 1
1534 1546 -59.887 0.000 0.7445 0.3809 1
1539 1543 -14.054 0.000 0.8199 0.4754 1
1539 1551 228.237 0.000 0.8208 0.3937 1
1542 1544 17.027 0.000 0.8783 0.8172 1
1543 1545 -206.005 0.000 0.7446 0.3018 1
1545 1551 448.296 0.000 0.7699 0.3241 1
1546 1551 440.268 0.000 0.7340 0.3150 1
nf_output/filesummary/ 0000755 0000000 0000000 00000000000 14622715330 014137 5 ustar root root nf_output/filesummary/summaryresult.tsv 0000644 0000000 0000000 00000000001 14622715330 017620 0 ustar root root
nf_output/library/ 0000755 0000000 0000000 00000000000 14622716050 013246 5 ustar root root nf_output/library/merged_results_with_gnps.tsv 0000644 0000000 0000000 00000432706 14622716050 021126 0 ustar root root SpectrumID #Scan# SpectrumFile LibraryName MQScore TIC_Query RT_Query MZErrorPPM SharedPeaks MassDiff SpecMZ SpecCharge FileScanUniqueID NumberHits Compound_Name Ion_Source Instrument Compound_Source PI Data_Collector Adduct Precursor_MZ ExactMass Charge CAS_Number Pubmed_ID Smiles INCHI INCHI_AUX Library_Class IonMode Organism LibMZ UpdateWorkflowName LibraryQualityString tags molecular_formula InChIKey InChIKey-Planar superclass class subclass npclassifier_superclass npclassifier_class npclassifier_pathway
CCMSLIB00000208968 169 spectra_filtered.mgf RESPECT.mgf 0.993606 45080000.0 0 388.692 7 0.0583038 150.058 1 temp/spectra_filtered.mgf169 1 ReSpect:PM000934 L-Methionine ESI QQQ Isolated Putative ReSpect Match ReSpect M+H 150.0 149.051 1 63-68-3 12811753 CSCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 N/A 3 Positive RESPECT 150.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N FFEARJCKVFRZRR Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00003740030 38 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.990877 11980000.0 0 1.85753 6 0.000289917 156.077 1 temp/spectra_filtered.mgf38 1 Histidine LC-ESI Orbitrap Commercial Tie-Jun Ling Jing-Jing Wang M+H 156.077 0.0 1 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) 3 Positive GNPS-LIBRARY 156.077 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H9N3O2 HNDVDQJCIGZPNO-UHFFFAOYSA-N HNDVDQJCIGZPNO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00003136607 475 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.990821 13577000.0 0 0.435635 7 0.000106812 245.186 1 temp/spectra_filtered.mgf475 1 Spectral Match to Ile-Leu from NIST14 ESI QQQ Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 245.186 244.179 1 N/A N/A CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 245.186 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H24N2O3 JWBXCSQZLLIOCI-GUBZILKMSA-N JWBXCSQZLLIOCI Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00012268209 138 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.98837 4052000.0 0 5819.74 7 0.9841 170.081 1 temp/spectra_filtered.mgf138 1 pyridoxamine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 169.097 168.09 1 N/A N/A Cc1ncc(CO)c(CN)c1O """InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3""" NHZMQXZHNVQTQA-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 169.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N NHZMQXZHNVQTQA Organoheterocyclic compounds Pyridines and derivatives Pyridoxamines Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00006418108 786 spectra_filtered.mgf BMDMS-NP.mgf 0.986865 1555000.0 0 0.963456 12 0.000274658 285.076 1 temp/spectra_filtered.mgf786 1 Glycitein ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 285.076 284.068 1 N/A N/A O=C1C(=COC2=CC(O)=C(OC)C=C12)C=3C=CC(O)=CC3 InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 N/A 1 Positive BMDMS-NP 285.076 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H12O5 DXYUAIFZCFRPTH-UHFFFAOYSA-N DXYUAIFZCFRPTH Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00003740025 39 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.983304 28130000.0 0 0.609937 8 0.000106812 175.119 1 temp/spectra_filtered.mgf39 1 Arginine LC-ESI Orbitrap Commercial Tie-Jun Ling Jing-Jing Wang M+H 175.119 0.0 1 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) 3 Positive GNPS-LIBRARY 175.119 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H14N4O2 ODKSFYDXXFIFQN-UHFFFAOYSA-N ODKSFYDXXFIFQN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00005730077 798 spectra_filtered.mgf MASSBANK.mgf 0.98223 5560000.0 0 0.0 13 0.0 271.06 1 temp/spectra_filtered.mgf798 1 Massbank:EQ326505 Genistein|5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one ESI Hybrid FT Isolated Massbank Massbank M+H 271.06 0.0 1 446-72-0 N/A C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O 1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H N/A 3 Positive MASSBANK 271.06 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H10O5 TZBJGXHYKVUXJN-UHFFFAOYSA-N TZBJGXHYKVUXJN Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00006681646 244 spectra_filtered.mgf MONA.mgf 0.982084 3584000.0 0 2.15543 7 0.000396729 184.06 1 temp/spectra_filtered.mgf244 1 4-PYRIDOXIC ACID ESI qTof isolated MoNA MoNA:MoNA033581 M+H 184.06 0.0 1 N/A N/A CC1=C(C(=C(C=N1)CO)C(=O)O)O """InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)""" N/A 3 positive MONA 184.06 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N HXACOUQIXZGNBF Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00003740032 202 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.981728 51425000.0 0 1.19435 6 0.000198364 166.086 1 temp/spectra_filtered.mgf202 1 Phenylalanine LC-ESI Orbitrap Commercial Tie-Jun Ling Jing-Jing Wang M+H 166.086 166.086 1 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) 3 Positive GNPS-LIBRARY 166.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H11NO2 COLNVLDHVKWLRT-UHFFFAOYSA-N COLNVLDHVKWLRT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids
CCMSLIB00000841631 997 spectra_filtered.mgf MASSBANKEU.mgf 0.981714 345500.0 0 1.29943 13 0.000518799 399.25 1 temp/spectra_filtered.mgf997 1 MassbankEU:SM824402 Tri(butoxyethyl) phosphate|tris(2-butoxyethyl) phosphate ESI LC-ESI-QFT Isolated Massbank EU Massbank [M+H]+ 399.251 0.0 1 78-51-3 N/A CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC 1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3 N/A 3 Positive MASSBANKEU 399.251 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H39O7P WTLBZVNBAKMVDP-UHFFFAOYSA-N WTLBZVNBAKMVDP Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Glycerophospholipids Fatty acids
CCMSLIB00003136239 328 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.981045 3144000.0 0 3.65451 8 0.000701904 192.064 1 temp/spectra_filtered.mgf328 1 Spectral Match to L-Kynurenine from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-NH3 192.065 0.0 1 2922830 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 192.065 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003139652 514 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.980219 5757900.0 0 0.435635 6 0.000106812 245.186 1 temp/spectra_filtered.mgf514 1 Spectral Match to Ile-Leu from NIST14 ESI QQQ Isolated Data from Rob Knight Data deposited by amelnik M+H 245.186 244.179 1 N/A N/A CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 245.186 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H24N2O3 JWBXCSQZLLIOCI-GUBZILKMSA-N JWBXCSQZLLIOCI Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005730843 158 spectra_filtered.mgf MASSBANK.mgf 0.978385 10829000.0 0 0.341482 6 9.15527e-05 268.104 1 temp/spectra_filtered.mgf158 1 Massbank:EQ330404 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol ESI Hybrid FT Isolated Massbank Massbank M+H 268.104 0.0 1 58-61-7 N/A C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 N/A 3 Positive MASSBANK 268.104 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N OIRDTQYFTABQOQ N/A N/A N/A Nucleosides Purine nucleos(t)ides Carbohydrates
CCMSLIB00010114554 344 spectra_filtered.mgf BERKELEY-LAB.mgf 0.977179 1797600.0 0 1.61364 6 0.000305176 189.123 1 temp/spectra_filtered.mgf344 1 Glycyl-L-leucine CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 189.123 0.0 1 N/A N/A CC(C)CC(N=C(O)CN)C(=O)O """InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1""" N/A 3 Positive BERKELEY-LAB 189.123 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H16N2O3 DKEXFJVMVGETOO-UHFFFAOYSA-N DKEXFJVMVGETOO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003740036 191 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.977073 104330000.0 0 0.586615 7 0.000106812 182.081 1 temp/spectra_filtered.mgf191 1 Tyrosine LC-ESI Orbitrap Commercial Tie-Jun Ling Jing-Jing Wang M+H 182.081 0.0 1 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) 3 Positive GNPS-LIBRARY 182.081 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H11NO3 OUYCCCASQSFEME-UHFFFAOYSA-N OUYCCCASQSFEME Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids
CCMSLIB00003135898 313 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.974993 11431000.0 0 1.74691 7 0.000396729 227.103 1 temp/spectra_filtered.mgf313 1 Spectral Match to PyroGlu-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 227.103 226.095 1 N/A N/A C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16) N/A 3 Positive GNPS-NIST14-MATCHES 227.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H14N2O4 PFEJJYZYEFRQEA-UHFFFAOYSA-N PFEJJYZYEFRQEA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00012260241 494 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.974887 2015300.0 0 0.365327 13 0.00012207 334.14 1 temp/spectra_filtered.mgf494 1 Golotimod LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 334.14 333.132 1 N/A N/A NC(CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O """InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1""" CATMPQFFVNKDEY-YPMHNXCESA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 334.14 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H19N3O5 CATMPQFFVNKDEY-UHFFFAOYSA-N CATMPQFFVNKDEY Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010013002 84 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.971568 11163000.0 0 4.77831 7 0.000793457 166.053 1 temp/spectra_filtered.mgf84 1 L-methionine sulfoxide LC-ESI Orbitrap Commercial Georg Pohnert Muhaiminatul Azizah M+H 166.054 166.054 1 3226-65-1 158980 CS(=O)CCC(C(=O)O)N 1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1 3 Positive GNPS-LIBRARY 166.054 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C5H11NO3S QEFRNWWLZKMPFJ-UHFFFAOYSA-N QEFRNWWLZKMPFJ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00006679519 45 spectra_filtered.mgf MONA.mgf 0.968671 2256000.0 0 1.61332 6 0.000305176 189.16 1 temp/spectra_filtered.mgf45 1 """NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE""" ESI Orbitrap isolated MoNA MoNA:MoNA037155 M+H 189.16 0.0 1 N/A N/A C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N """InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1""" N/A 3 positive MONA 189.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A MXNRLFUSFKVQSK-QMMMGPOBSA-N MXNRLFUSFKVQSK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N/A N/A N/A
CCMSLIB00010124740 118 spectra_filtered.mgf BERKELEY-LAB.mgf 0.968497 659500.0 0 0.786819 6 0.000198364 252.109 1 temp/spectra_filtered.mgf118 1 2'-deoxyadenosine CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 252.109 0.0 1 N/A N/A Nc1ncnc2c1ncn2C1CC(O)C(CO)O1 """InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1""" N/A 3 Positive BERKELEY-LAB 252.109 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H13N5O3 OLXZPDWKRNYJJZ-UHFFFAOYSA-N OLXZPDWKRNYJJZ Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides Nucleosides Purine nucleos(t)ides Carbohydrates
CCMSLIB00012254879 838 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.968368 971800.0 0 9.62877 10 0.00219727 228.196 1 temp/spectra_filtered.mgf838 1 Vitamin E acetate LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H2O+2H]+2 228.198 472.392 1 N/A N/A CC(=O)Oc1c(C)c2c(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2)c(C)c1C """InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1""" ZAKOWWREFLAJOT-CEFNRUSXSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 228.198 UPDATE-SINGLE-ANNOTATED-GOLD Gold C31H52O3 ZAKOWWREFLAJOT-UHFFFAOYSA-N ZAKOWWREFLAJOT Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Meroterpenoids Prenyl quinone meroterpenoids Terpenoids
CCMSLIB00010120445 1196 spectra_filtered.mgf BERKELEY-LAB.mgf 0.966927 5686000.0 0 0.23398 8 9.15527e-05 391.284 1 temp/spectra_filtered.mgf1196 1 DEHP CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 391.284 0.0 1 N/A N/A CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC """InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3""" N/A 3 Positive BERKELEY-LAB 391.284 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C24H38O4 BJQHLKABXJIVAM-UHFFFAOYSA-N BJQHLKABXJIVAM Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Shikimic acids and derivatives|Simple phenolic acids Shikimates and Phenylpropanoids
CCMSLIB00012254535 195 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.966872 1494900.0 0 1.27078 6 0.000396729 312.192 1 temp/spectra_filtered.mgf195 1 Val-pro-pro LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 312.192 311.185 1 N/A N/A CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O """InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1""" DOFAQXCYFQKSHT-SRVKXCTJSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 312.192 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H25N3O4 DOFAQXCYFQKSHT-UHFFFAOYSA-N DOFAQXCYFQKSHT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Tripeptides Amino acids and Peptides
CCMSLIB00003138602 710 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.96685 770800.0 0 0.0 9 0.0 213.16 1 temp/spectra_filtered.mgf710 1 Spectral Match to Val-Leu from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 213.16 0.0 1 3989977 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 213.16 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012254535 285 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.96448 654300.0 0 0.879773 6 0.000274658 312.192 1 temp/spectra_filtered.mgf285 1 Val-pro-pro LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 312.192 311.185 1 N/A N/A CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O """InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1""" DOFAQXCYFQKSHT-SRVKXCTJSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 312.192 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H25N3O4 DOFAQXCYFQKSHT-UHFFFAOYSA-N DOFAQXCYFQKSHT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Tripeptides Amino acids and Peptides
CCMSLIB00012272247 633 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.964329 1183400.0 0 0.675746 14 0.000213623 316.129 1 temp/spectra_filtered.mgf633 1 Oglufanide LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-H2O+H]+ 316.129 333.132 1 N/A N/A NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O """InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1""" LLEUXCDZPQOJMY-AAEUAGOBSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 316.129 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H19N3O5 LLEUXCDZPQOJMY-UHFFFAOYSA-N LLEUXCDZPQOJMY Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003136000 81 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.961891 40628000.0 0 0.519882 6 9.15527e-05 176.103 1 temp/spectra_filtered.mgf81 1 Spectral Match to L-Citrulline from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 176.103 175.096 1 372758 N/A C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 176.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N RHGKLRLOHDJJDR Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00006120813 321 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.960505 2470000.0 0 0.415926 10 9.15527e-05 220.118 1 temp/spectra_filtered.mgf321 1 D-PANTOTHENIC ACID - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 220.118 0.0 1 N/A CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 220.118 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N GHOKWGTUZJEAQD Organic oxygen compounds Organooxygen compounds Alcohols and polyols Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003138130 230 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.959863 29220000.0 0 21.8179 6 0.00360107 165.055 1 temp/spectra_filtered.mgf230 1 Spectral Match to L-Tyrosine from NIST14 ESI HCD Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-NH3 165.051 0.0 1 60184 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 165.051 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003134740 330 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.959562 765000.0 0 0.765306 7 0.000213623 279.134 1 temp/spectra_filtered.mgf330 1 Spectral Match to Tyr-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 279.134 278.127 1 N/A N/A C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)O InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20)/t11-,12-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 279.134 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H18N2O4 VNYDHJARLHNEGA-RYUDHWBXSA-N VNYDHJARLHNEGA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005463896 906 spectra_filtered.mgf GNPS-MSMLS.mgf 0.959125 88490000.0 0 170.488 6 0.0708008 415.211 1 temp/spectra_filtered.mgf906 1 DEOXYCHOLATE ESI Orbitrap Commercial Dorrestein Kelly Weldon M+Na 415.282 392.293 1 302-95-4 222528.0 [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 N/A 1 Positive GNPS-MSMLS 415.282 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H40O4 KXGVEGMKQFWNSR-LLQZFEROSA-N KXGVEGMKQFWNSR Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholane steroids Terpenoids
CCMSLIB00003137813 721 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.958901 995600.0 0 1.64648 11 0.000579834 352.166 1 temp/spectra_filtered.mgf721 1 Spectral Match to Trp-Phe from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by daniel M+H 352.165 351.158 1 6686028 N/A C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 352.165 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H21N3O3 IMMPMHKLUUZKAZ-WMZOPIPTSA-N IMMPMHKLUUZKAZ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003134673 1390 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.958298 2843600.0 0 4.03485 9 0.00317383 786.601 1 temp/spectra_filtered.mgf1390 1 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 ESI qTof Isolated Data from James McKerrow Data deposited by lamccall M+H 786.604 785.594 1 27098244 N/A CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 786.604 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A FORFDCPQKJHEBF-VPUSDGANSA-N FORFDCPQKJHEBF Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A
CCMSLIB00005766829 691 spectra_filtered.mgf MASSBANK.mgf 0.956921 114600.0 0 0.777701 13 0.000198364 255.065 1 temp/spectra_filtered.mgf691 1 Massbank:LU093705 Daidzein ESI Hybrid FT Isolated Massbank Massbank M+H 255.065 0.0 1 486-66-8 N/A OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O 1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H N/A 3 Positive MASSBANK 255.065 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H10O4 ZQSIJRDFPHDXIC-UHFFFAOYSA-N ZQSIJRDFPHDXIC Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00003137229 1325 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.951925 4605000.0 0 2.02782 8 0.00158691 782.569 1 temp/spectra_filtered.mgf1325 1 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14 ESI HCD Isolated Data from James McKerrow Data deposited by lamccall M+H 782.571 0.0 1 998061 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 782.571 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003138708 651 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.951516 738600.0 0 2.2414 7 0.000701904 313.155 1 temp/spectra_filtered.mgf651 1 Spectral Match to Phe-Phe from NIST14 ESI Ion Trap Isolated Data from Pieter Dorrestein Data deposited by daniel M+H 313.154 312.147 1 2577404 N/A C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23) N/A 3 Positive GNPS-NIST14-MATCHES 313.154 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H20N2O3 GKZIWHRNKRBEOH-UHFFFAOYSA-N GKZIWHRNKRBEOH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00006123417 62 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.949773 7834000.0 0 0.254207 12 9.15527e-05 360.15 1 temp/spectra_filtered.mgf62 1 alpha,alpha-Trehalose - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+NH4 360.15 0.0 1 N/A C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 360.15 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H22O11 HDTRYLNUVZCQOY-LIZSDCNHSA-N HDTRYLNUVZCQOY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides Carbohydrates
CCMSLIB00003136142 995 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.949477 284800.0 0 3.33263 10 0.00140381 421.232 1 temp/spectra_filtered.mgf995 1 Spectral Match to Tris(2-butoxyethyl) phosphate from NIST14 ESI QQQ Isolated Data from Katrina Waters;Yoshihiro Kawaoka;Michael Diamond;Richard Smith;Thomas Metz Data deposited by alchemistmatt M+Na 421.231 398.243 1 78513 N/A CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3 N/A 3 Positive GNPS-NIST14-MATCHES 421.231 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H39O7P WTLBZVNBAKMVDP-UHFFFAOYSA-N WTLBZVNBAKMVDP Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Glycerophospholipids Fatty acids
CCMSLIB00003137749 675 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.949046 54100000.0 0 2.86341 7 0.000701904 245.128 1 temp/spectra_filtered.mgf675 1 Spectral Match to Phe-Pro from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 245.129 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 245.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003139223 198 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.946598 9067000.0 0 5409.07 6 0.984894 181.097 1 temp/spectra_filtered.mgf198 1 Spectral Match to L-Tyrosine from NIST14 ESI qTof Isolated Data from James McKerrow Data deposited by lamccall M+H 182.082 181.074 1 60184 N/A C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 182.082 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N OUYCCCASQSFEME Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids
CCMSLIB00003134673 1356 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.945179 1716500.0 0 1290.84 8 1.01538 785.589 1 temp/spectra_filtered.mgf1356 1 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 ESI qTof Isolated Data from James McKerrow Data deposited by lamccall M+H 786.604 785.594 1 27098244 N/A CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 786.604 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A FORFDCPQKJHEBF-VPUSDGANSA-N FORFDCPQKJHEBF Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines N/A N/A N/A
CCMSLIB00006425512 804 spectra_filtered.mgf BMDMS-NP.mgf 0.945037 191700.0 0 1.92591 13 0.000579834 301.071 1 temp/spectra_filtered.mgf804 1 Tectorigenin ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 301.07 300.063 1 N/A N/A O=C1C(=COC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(O)=CC3 InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 N/A 1 Positive BMDMS-NP 301.07 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H12O6 OBBCRPUNCUPUOS-UHFFFAOYSA-N OBBCRPUNCUPUOS Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00003137276 176 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.944996 1937000.0 0 17.7621 7 0.00270081 152.057 1 temp/spectra_filtered.mgf176 1 Spectral Match to Guanine from NIST14 ESI QqQ Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 152.054 0.0 1 73405 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 152.054 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003135898 168 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.944735 8538000.0 0 2.21723 10 0.00050354 227.102 1 temp/spectra_filtered.mgf168 1 Spectral Match to PyroGlu-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 227.103 226.095 1 N/A N/A C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16) N/A 3 Positive GNPS-NIST14-MATCHES 227.103 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H14N2O4 PFEJJYZYEFRQEA-UHFFFAOYSA-N PFEJJYZYEFRQEA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003138745 350 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.943537 322500.0 0 3.65101 6 0.000686646 188.071 1 temp/spectra_filtered.mgf350 1 Spectral Match to DL-Indole-3-lactic acid from NIST14 ESI Q-TOF Isolated Data from Karin Data deposited by aaksenov M+H-H2O 188.07 0.0 1 832973 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 188.07 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005883215 747 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.943386 289700.0 0 0.816018 10 0.000198364 243.088 1 temp/spectra_filtered.mgf747 1 LUMICHROME - 70.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 243.088 0.0 1 1086-80-2 N/A CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) N/A 1 Positive GNPS-LIBRARY 243.088 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H10N4O2 ZJTJUVIJVLLGSP-UHFFFAOYSA-N ZJTJUVIJVLLGSP Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Pseudoalkaloids pteridine alkaloids Alkaloids
CCMSLIB00003136667 282 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.943334 18046000.0 0 1.82694 6 0.000396729 217.155 1 temp/spectra_filtered.mgf282 1 Spectral Match to Val-Val from NIST14 ESI QQQ Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 217.155 216.147 1 3918943 N/A CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 217.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H20N2O3 KRNYOVHEKOBTEF-YUMQZZPRSA-N KRNYOVHEKOBTEF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003134833 150 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.9427 18652000.0 0 0.454287 10 0.000106812 235.119 1 temp/spectra_filtered.mgf150 1 Spectral Match to His-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 235.119 252.122 1 N/A N/A C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 235.119 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H16N4O3 LNCFUHAPNTYMJB-IUCAKERBSA-N LNCFUHAPNTYMJB Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00006118306 780 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-POS.mgf 0.938975 6859000.0 0 0.358939 12 9.15527e-05 255.065 1 temp/spectra_filtered.mgf780 1 Daidzein - 40.0 eV ESI Orbitrap Isolated PI Data Collector M+H 255.065 0.0 1 N/A c1cc(ccc1c2coc3cc(ccc3c2=O)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H N/A 1 Positive BIRMINGHAM-UHPLC-MS-POS 255.065 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O4 ZQSIJRDFPHDXIC-UHFFFAOYSA-N ZQSIJRDFPHDXIC Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00005726245 107 spectra_filtered.mgf MASSBANK.mgf 0.937902 7896000.0 0 1.25998 8 0.000289917 230.096 1 temp/spectra_filtered.mgf107 1 Massbank:UA006001 L-(+)-Ergothioneine|L-Ergothioneine|5-[(2S)-2-Carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate ESI Hybrid FT Isolated Massbank Massbank M+H 230.096 0.0 1 497-30-3 N/A C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S)C(=O)[O-] 1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1 N/A 3 Positive MASSBANK 230.096 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A SSISHJJTAXXQAX-ZETCQYMHSA-N SSISHJJTAXXQAX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N/A N/A N/A
CCMSLIB00012176233 447 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.935845 1976700.0 0 0.0 6 0.0 180.102 1 temp/spectra_filtered.mgf447 1 C2_0_N-Acyl_Tyramine ESI Orbitrap Commercial Dorrestein kyvittali M+H 180.102 179.095 1 OC(C=C1)=CC=C1CCNC(C)=O InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12) N/A 1 Positive CMMC-LIBRARY 180.102 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H13NO2 ATDWJOOPFDQZNK-UHFFFAOYSA-N ATDWJOOPFDQZNK Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Tyrosine alkaloids Phenylethylamines Alkaloids
CCMSLIB00005760374 822 spectra_filtered.mgf MASSBANK.mgf 0.934859 652800.0 0 1.13414 12 0.000305176 269.081 1 temp/spectra_filtered.mgf822 1 Massbank:LU030105 Formononetin|7-hydroxy-3-(4-methoxyphenyl)chromen-4-one ESI Hybrid FT Isolated Massbank Massbank M+H 269.081 0.0 1 485-72-3 N/A COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O 1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 N/A 3 Positive MASSBANK 269.081 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H12O4 HKQYGTCOTHHOMP-UHFFFAOYSA-N HKQYGTCOTHHOMP Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00000007069 720 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.93428 1074100.0 0 1.71846 7 0.000488281 284.139 1 temp/spectra_filtered.mgf720 1 cyclo(D-Trp-L-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+Na 284.139 283.325 1 509078-49-3 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 284.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010124046 317 spectra_filtered.mgf BERKELEY-LAB.mgf 0.932777 14915000.0 0 0.0 8 0.0 209.092 1 temp/spectra_filtered.mgf317 1 L-kynurenine CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 209.092 0.0 1 N/A N/A Nc1ccccc1C(=O)CC(N)C(=O)O """InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1""" N/A 3 Positive BERKELEY-LAB 209.092 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H12N2O3 YGPSJZOEDVAXAB-UHFFFAOYSA-N YGPSJZOEDVAXAB Organic oxygen compounds Organooxygen compounds Carbonyl compounds Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00006678263 1421 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.932458 499700.0 0 0.728418 13 0.000427246 586.54 1 temp/spectra_filtered.mgf1421 1 DAG (16:0/16:0) LC-ESI Orbitrap Other S Ding Su Ding M+H 586.54 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 586.54 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003134818 412 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.930394 527400.0 0 2.64716 6 0.000701904 265.155 1 temp/spectra_filtered.mgf412 1 Spectral Match to Phe-Val from NIST14 ESI IT/ion trap Isolated Data from Rob Knight Data deposited by amelnik M+H 265.154 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 265.154 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00006126861 299 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.928814 1431600.0 0 0.450516 10 0.000106812 237.087 1 temp/spectra_filtered.mgf299 1 Formylkynurenine LC-ESI Orbitrap Lysate Quinn Martin-Hernandez M+H 237.087 0.0 1 3 Positive GNPS-LIBRARY 237.087 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011428031 700 spectra_filtered.mgf LEAFBOT.mgf 0.928223 1658200.0 0 1491.21 6 1.81824 1217.48 1 temp/spectra_filtered.mgf700 1 RUTIN TRIHYDRATE ESI Orbitrap Commercial Cech Vicky Anderson 2M-H 1219.3 610.153 -1 250249-75-3 N/A CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3=C(C4=CC(O)=C(O)C=C4)OC5=CC(O)=CC(O)=C5C3=O)O2)O1 """InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3""" N/A 1 Negative LEAFBOT 1219.3 UPDATE-SINGLE-ANNOTATED-GOLD Gold C27H30O16 IKGXIBQEEMLURG-UHFFFAOYSA-N IKGXIBQEEMLURG Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Flavonoids Flavonols Shikimates and Phenylpropanoids
CCMSLIB00003138139 189 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.924845 2577000.0 0 8562.99 9 1.97951 233.15 1 temp/spectra_filtered.mgf189 1 Spectral Match to Leu-Val from NIST14 ESI IT/ion trap Isolated Data from Pieter Dorrestein Data deposited by t3hdon M+H 231.17 0.0 1 13588959 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 231.17 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003135482 243 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.924092 187500.0 0 5890.98 6 0.983994 166.05 1 temp/spectra_filtered.mgf243 1 Spectral Match to Phthalic anhydride from NIST14 ESI HCD Isolated Data from Wolfender/Litaudon Data deposited by pmallard M+H+H2O 167.034 0.0 1 85449 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 167.034 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005884209 106 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.923392 878200.0 0 3205.8 6 1.05811 331.118 1 temp/spectra_filtered.mgf106 1 ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE - 20.0 eV ESI Orbitrap Isolated Madeleine Ernst Anna Abrahamsson M+H 330.06 0.0 1 37063-35-7 N/A NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12 InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) N/A 1 Positive GNPS-LIBRARY 330.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H12N5O6P KMYWVDDIPVNLME-UHFFFAOYSA-N KMYWVDDIPVNLME Nucleosides, nucleotides, and analogues Purine nucleotides Cyclic purine nucleotides Nucleosides Purine nucleos(t)ides Carbohydrates
CCMSLIB00003137839 1015 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.923101 465500.0 0 1.39677 10 0.000732422 524.371 1 temp/spectra_filtered.mgf1015 1 Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 ESI HCD Isolated Data from Joshua Wollam Data deposited by fevargas M+H 524.37 0.0 1 19420576 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 524.37 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003134601 93 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.92223 2734000.0 0 2.97354 11 0.000823975 277.103 1 temp/spectra_filtered.mgf93 1 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14 ESI HCD Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 277.102 0.0 1 1116229 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 277.102 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003136067 1366 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.92211 3958900.0 0 3.21842 9 0.00244141 758.57 1 temp/spectra_filtered.mgf1366 1 Spectral Match to 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 ESI HCD Isolated Data from James McKerrow Data deposited by lamccall M+H 758.572 0.0 1 159701210 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 758.572 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003139626 379 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.920361 2481000.0 0 159.768 11 0.0366058 229.155 1 temp/spectra_filtered.mgf379 1 Spectral Match to PyroGlu-Val from NIST14 ESI Q-TOF Isolated Data from Joshua Wollam Data deposited by fevargas M+H 229.118 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 229.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003139816 1355 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.919352 2131500.0 0 6.30119 6 0.00494385 784.585 1 temp/spectra_filtered.mgf1355 1 Spectral Match to Arachidonoylthio-PC from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by daniel M+H 784.59 783.56 1 146797822 N/A CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC InChI=1S/C44H82NO6PS/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)53-43(42-51-52(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1 N/A 3 Positive GNPS-NIST14-MATCHES 784.59 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A YDSCLGYBUIDZNF-WWBBCYQPSA-N YDSCLGYBUIDZNF Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts N/A N/A N/A
CCMSLIB00003139740 1094 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.919116 3065800.0 0 0.325751 7 9.15527e-05 281.051 1 temp/spectra_filtered.mgf1094 1 Spectral Match to Cyclotetrasiloxane, octamethyl- from NIST14 ESI QqQ Isolated Data from Wolfender Data deposited by pmallard M+H-CH4 281.051 0.0 1 556672 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 281.051 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000007148 414 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.917118 885900.0 0 2.55437 9 0.00050354 197.128 1 temp/spectra_filtered.mgf414 1 cyclo(L-Val-L-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 197.129 196.121 1 285-40-2 N/A CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1 N/A 3 Positive GNPS-LIBRARY 197.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H16N2O2 XLUAWXQORJEMBD-YUMQZZPRSA-N XLUAWXQORJEMBD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010010807 1215 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.91573 3612200.0 0 0.683694 7 0.000305176 446.363 1 temp/spectra_filtered.mgf1215 1 Phe-C19:0 ESI qTof Crude Dorrestein Emily Gentry M+H 446.363 445.356 1 N/A N/A CCCCCCCCCCCCCCCCCCC(NC(C(O)=O)CC1=CC=CC=C1)=O InChI=1S/C28H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(30)29-26(28(31)32)24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,29,30)(H,31,32) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 446.363 UPDATE-SINGLE-ANNOTATED-SILVER Silver C28H47NO3 RSXXDPZXTNQIHH-UHFFFAOYSA-N RSXXDPZXTNQIHH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids
CCMSLIB00005766963 991 spectra_filtered.mgf MASSBANK.mgf 0.913436 603700.0 0 0.0 16 0.0 435.295 1 temp/spectra_filtered.mgf991 1 Massbank:LU125401 Bis[2-(2-butoxyethoxy)ethyl] hexandioate|Bis[2-(2-butoxyethoxy)ethyl] adipate|bis[2-(2-butoxyethoxy)ethyl] hexanedioate ESI Hybrid FT Isolated Massbank Massbank M+H 435.295 0.0 1 141-17-3 N/A CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC 1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3 N/A 3 Positive MASSBANK 435.295 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C22H42O8 SCABKEBYDRTODC-UHFFFAOYSA-N SCABKEBYDRTODC Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Glycerolipids Triacylglycerols Fatty acids
CCMSLIB00000211289 777 spectra_filtered.mgf RESPECT.mgf 0.912505 405100.0 0 612.222 7 0.15979 261.16 1 temp/spectra_filtered.mgf777 1 ReSpect:PM014407 Cyclo(Phe-Leu) ESI Ion Trap Isolated Putative ReSpect Match ReSpect M+H 261.0 260.152 1 7280-77-5 18384195 CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18) N/A 3 Positive RESPECT 261.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H20N2O2 QPDMOMIYLJMOQJ-UHFFFAOYSA-N QPDMOMIYLJMOQJ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptide alkaloids|Small peptides Dipeptides|Simple diketopiperazine alkaloids Alkaloids|Amino acids and Peptides
CCMSLIB00012269288 908 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.911024 9408000.0 0 8.54312 10 0.00369263 432.238 1 temp/spectra_filtered.mgf908 1 nemiralisib LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M-H2O+2H]+2 432.234 440.232 1 N/A N/A CC(C)N1CCN(Cc2cnc(-c3c4cn[nH]c4cc(-c4c5cc[nH]c5ccc4)c3)o2)CC1 """InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)""" MCIDWGZGWVSZMK-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 432.234 UPDATE-SINGLE-ANNOTATED-GOLD Gold C26H28N6O MCIDWGZGWVSZMK-UHFFFAOYSA-N MCIDWGZGWVSZMK Organoheterocyclic compounds Benzopyrazoles Indazoles Alkaloids
CCMSLIB00000211719 266 spectra_filtered.mgf RESPECT.mgf 0.909488 7800000.0 0 288.016 6 0.0711975 247.129 1 temp/spectra_filtered.mgf266 1 ReSpect:PM017302 gamma-L-Glutamyl-L-valine ESI QIT Isolated Putative ReSpect Match ReSpect [M+H] 247.2 0.0 1 2746-34-1 17616213 N/A N/A N/A 3 Positive RESPECT 247.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012271602 509 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.908927 377600.0 0 1.05192 11 0.000396729 377.146 1 temp/spectra_filtered.mgf509 1 riboflavin LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 377.146 376.138 1 N/A N/A Cc1cc2c(cc1C)n(CC(O)C(O)C(O)CO)c1nc(=O)[nH]c(=O)c-1n2 """InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1""" AUNGANRZJHBGPY-SCRDCRAPSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 377.146 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H20N4O6 AUNGANRZJHBGPY-UHFFFAOYSA-N AUNGANRZJHBGPY Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Pseudoalkaloids pteridine alkaloids Alkaloids
CCMSLIB00003139954 68 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.908703 19240000.0 0 6220.38 6 0.983398 159.076 1 temp/spectra_filtered.mgf68 1 Spectral Match to L-Arginine from NIST14 ESI HCD Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-NH3 158.093 0.0 1 74793 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 158.093 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012267706 913 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.908402 1647900.0 0 4.37607 6 0.00201416 460.269 1 temp/spectra_filtered.mgf913 1 emorfazone LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M-2H2O+NH4]+ 460.267 239.127 1 N/A N/A CCOc1c(N2CCOCC2)cnn(C)c1=O """InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3""" URJQOOISAKEBKW-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 460.267 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H17N3O3 URJQOOISAKEBKW-UHFFFAOYSA-N URJQOOISAKEBKW Organic nitrogen compounds Organonitrogen compounds Amines Alkaloids
CCMSLIB00003136729 360 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.907728 342900.0 0 2.18297 8 0.00100708 461.333 1 temp/spectra_filtered.mgf360 1 Spectral Match to Leu-Val from NIST14 ESI Q-TOF Isolated Data from Christopher A. Lowry Data deposited by fevargas 2M+H 461.334 0.0 1 13588959 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 461.334 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003134702 213 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.906949 193600.0 0 1.97609 10 0.000701904 355.197 1 temp/spectra_filtered.mgf213 1 Spectral Match to PyroGlu-Pro-Lys from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 355.198 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 355.198 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005739084 617 spectra_filtered.mgf MASSBANK.mgf 0.906503 26370000.0 0 0.505871 9 0.000106812 211.144 1 temp/spectra_filtered.mgf617 1 Massbank:PR311142 Cyclo(leucylprolyl) ESI qTof Isolated Massbank Massbank M+H 211.144 0.0 1 N/A N/A O=C1NC(C(=O)N2CCCC12)CC(C)C 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) N/A 3 Positive MASSBANK 211.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O2 SZJNCZMRZAUNQT-UHFFFAOYSA-N SZJNCZMRZAUNQT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003135171 1199 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.906115 5343000.0 0 8.87636 9 0.0032959 371.315 1 temp/spectra_filtered.mgf1199 1 Spectral Match to Hexanedioic acid, bis(2-ethylhexyl) ester from NIST14 ESI QqQ Isolated Data from Piel Data deposited by eriche M+H 371.312 0.0 1 103231 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 371.312 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005720581 1197 spectra_filtered.mgf PSU-MSMLS.mgf 0.906062 2246600.0 0 2562.08 13 1.0025 392.288 1 temp/spectra_filtered.mgf1197 1 BIS(2-ETHYLHEXYL)PHTHALATE ESI qTof Commercial Andrew D. Patterson Philip Smith [M+H]+ 391.285 390.277 1 117-81-7 8343 CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC """InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3""" N/A 1 Positive PSU-MSMLS 391.285 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H38O4 BJQHLKABXJIVAM-UHFFFAOYSA-N BJQHLKABXJIVAM Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Phenolic acids (C6-C1) Shikimic acids and derivatives|Simple phenolic acids Shikimates and Phenylpropanoids
CCMSLIB00000007039 440 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.904901 1159300.0 0 0.873317 10 0.000198364 227.139 1 temp/spectra_filtered.mgf440 1 cyclo(L-Leu-L-4-hydroxy-Pro) DI-ESI qTof Isolated Keyzers R Keyzers M+H 227.139 244.121 1 115006-86-5 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 227.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000218566 245 spectra_filtered.mgf MASSBANK.mgf 0.903859 944600.0 0 652.414 6 0.123306 189.123 1 temp/spectra_filtered.mgf245 1 Massbank:KO003027 Gly-Leu|Glycyl-L-leucine|Glycyl-leucine ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 189.0 0.0 1 869-19-2 N/A NCC(=O)N[C@@H](CC(C)C)C(O)=O 1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 N/A 3 Positive MASSBANK 189.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C8H16N2O3 DKEXFJVMVGETOO-LURJTMIESA-N DKEXFJVMVGETOO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003135758 990 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.901148 222200.0 0 12.2705 6 0.00320435 261.139 1 temp/spectra_filtered.mgf990 1 Spectral Match to N,N'-Diphenyl-p-phenylenediamine from NIST14 ESI qTof Isolated Data from Larry Smarr Data deposited by fevargas M+H 261.142 260.131 1 74317 N/A C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3 InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H N/A 3 Positive GNPS-NIST14-MATCHES 261.142 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16N2 UTGQNNCQYDRXCH-UHFFFAOYSA-N UTGQNNCQYDRXCH Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Flavonoids Chalcones Shikimates and Phenylpropanoids
CCMSLIB00000211284 531 spectra_filtered.mgf RESPECT.mgf 0.900248 457800.0 0 558.461 9 0.154694 277.155 1 temp/spectra_filtered.mgf531 1 ReSpect:PM014404 Cyclo(Tyr-Leu) ESI Ion Trap Isolated Putative ReSpect Match ReSpect M+H 277.0 276.147 1 15266-87-2 18384195 CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O InChI=1S/C15H20N2O3/c1-9(2)7-12-14(19)17-13(15(20)16-12)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,16,20)(H,17,19) N/A 3 Positive RESPECT 277.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H20N2O3 GENSLUDVKWKQMX-UHFFFAOYSA-N GENSLUDVKWKQMX Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptide alkaloids|Small peptides Dipeptides|Simple diketopiperazine alkaloids Alkaloids|Amino acids and Peptides
CCMSLIB00003136453 572 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.892939 843300.0 0 1.31277 9 0.000396729 302.207 1 temp/spectra_filtered.mgf572 1 Spectral Match to Ile-Gly-Ile from NIST14 ESI QqQ Isolated Data from Joshua Wollam Data deposited by fevargas M+H 302.207 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 302.207 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137991 143 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.892916 2431000.0 0 1.1777 8 0.000305176 259.129 1 temp/spectra_filtered.mgf143 1 Spectral Match to L-Saccharopine from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 259.129 276.132 1 997682 N/A C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 259.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H20N2O6 ZDGJAHTZVHVLOT-YUMQZZPRSA-N ZDGJAHTZVHVLOT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00012273242 1051 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.892615 1110000.0 0 8.93044 11 0.00360107 403.232 1 temp/spectra_filtered.mgf1051 1 SCHEMBL658597 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+Na]+ 403.236 380.246 1 N/A N/A COc1ccc(N2CCN(c3c(C)c4c(OC(C)(C)C4)c(C)c3C)CC2)cc1 """InChI=1S/C24H32N2O2/c1-16-17(2)23-21(15-24(4,5)28-23)18(3)22(16)26-13-11-25(12-14-26)19-7-9-20(27-6)10-8-19/h7-10H,11-15H2,1-6H3""" BBLZNCBOMKSSDU-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 403.236 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H32N2O2 BBLZNCBOMKSSDU-UHFFFAOYSA-N BBLZNCBOMKSSDU N/A N/A N/A Tryptophan alkaloids Quinoline alkaloids Alkaloids
CCMSLIB00003135895 442 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.890071 1140700.0 0 0.310175 9 9.15527e-05 295.165 1 temp/spectra_filtered.mgf442 1 Spectral Match to Tyr-Leu from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas M+H 295.165 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 295.165 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00006675444 389 spectra_filtered.mgf GNPS-NUTRI-METAB-FEM-POS.mgf 0.888786 429900.0 0 1.26788 6 0.000518799 409.186 1 temp/spectra_filtered.mgf389 1 tryptophan ESI Orbitrap Commercial Ulaszewska Marynka Ulaszewska 2M+H 409.187 204.09 1 27813-82-7 6305.0 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 N/A 1 Positive GNPS-NUTRI-METAB-FEM-POS 409.187 UPDATE-SINGLE-ANNOTATED-GOLD Gold C11H12N2O2 QIVBCDIJIAJPQS-UHFFFAOYSA-N QIVBCDIJIAJPQS Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Small peptides Aminoacids Amino acids and Peptides|Shikimates and Phenylpropanoids
CCMSLIB00006673497 438 spectra_filtered.mgf GNPS-NUTRI-METAB-FEM-POS.mgf 0.886543 1186500.0 0 0.913713 6 0.000198364 217.097 1 temp/spectra_filtered.mgf438 1 3S_2349_Tetrahydro_1h_pyrido_34b_indole_carboxylic_acid ESI Orbitrap Commercial Ulaszewska Marynka Ulaszewska M+H 217.097 216.09 1 42438-90-4 449440.0 C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1 N/A 1 Positive GNPS-NUTRI-METAB-FEM-POS 217.097 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H12N2O2 FSNCEEGOMTYXKY-UHFFFAOYSA-N FSNCEEGOMTYXKY Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Tryptophan alkaloids Carboline alkaloids Alkaloids
CCMSLIB00003137591 579 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.885391 5211000.0 0 2.86324 6 0.000793457 277.118 1 temp/spectra_filtered.mgf579 1 Spectral Match to PyroGlu-Phe from NIST14 ESI Q-TOF Isolated Data from System Wide MS course Data deposited by daniel M+H 277.119 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 277.119 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005720267 32 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.884401 9574000.0 0 4.54062 11 0.00140381 309.166 1 temp/spectra_filtered.mgf32 1 Fructoselysine LC-ESI qTof Commercial Alesia Walker Alesia Walker M+H 309.167 309.166 1 96192-35-7 131751634 O=C(O)C(N)CCCCNCC(=O)C(O)C(O)C(O)CO BFSYFTQDGRDJNV-AYHFEMFVSA-N 3 Positive GNPS-LIBRARY 309.167 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze Human:Fecal[Sample Type Detected]||Amadori Product[Chemical Family] C12H24N2O7 BFSYFTQDGRDJNV-UHFFFAOYSA-N BFSYFTQDGRDJNV Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aminosugars and aminoglycosides Aminosugars Carbohydrates
CCMSLIB00003134713 290 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.883103 713100.0 0 6960.55 7 1.94318 281.113 1 temp/spectra_filtered.mgf290 1 Spectral Match to Phe-Leu from NIST14 ESI IT/ion trap Isolated Data from Rob Knight Data deposited by amelnik M+H 279.17 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 279.17 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012253321 1000 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.883059 349900.0 0 9.0194 13 0.00350952 389.112 1 temp/spectra_filtered.mgf1000 1 RIDOGREL LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+Na]+ 389.108 366.119 1 N/A N/A O=C(O)CCCCON=C(c1cnccc1)c1cc(C(F)(F)F)ccc1 """InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+""" GLLPUTYLZIKEGF-HAVVHWLPSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 389.108 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H17F3N2O3 GLLPUTYLZIKEGF-UHFFFAOYSA-N GLLPUTYLZIKEGF Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00006684368 183 spectra_filtered.mgf MONA.mgf 0.880866 1003700.0 0 0.933837 10 0.000274658 294.118 1 temp/spectra_filtered.mgf183 1 N-ACETYLMURAMIC ACID ESI qTof isolated MoNA MoNA:MoNA032882 M+H 294.118 0.0 1 N/A N/A C[C@H](C(=O)O)O[C@@H]1[C@H](C(O)O[C@H](CO)[C@H]1O)/N=C(/C)\O """InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1""" N/A 3 positive MONA 294.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H19NO8 MNLRQHMNZILYPY-MKFCKLDKSA-N MNLRQHMNZILYPY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates
CCMSLIB00000847612 877 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.877762 406500.0 0 2.46217 11 0.000701904 285.076 1 temp/spectra_filtered.mgf877 1 NCGC00017369-11!5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+H 285.075 284.068 1 n/a n/a COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(O)=CC(O)=C3 InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 285.075 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H12O5 WUADCCWRTIWANL-UHFFFAOYSA-N WUADCCWRTIWANL Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00011427795 1142 spectra_filtered.mgf LEAFBOT.mgf 0.873165 88200.0 0 2162.52 6 0.984711 456.338 1 temp/spectra_filtered.mgf1142 1 """BOSWELLIC ACID, B""" ESI Orbitrap Commercial Cech Vicky Anderson M-H 455.353 456.36 -1 631-69-6 N/A CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C """InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)""" N/A 1 Negative LEAFBOT 455.353 UPDATE-SINGLE-ANNOTATED-GOLD Gold C30H48O3 NBGQZFQREPIKMG-UHFFFAOYSA-N NBGQZFQREPIKMG Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Serratane triterpenoids|Ursane and Taraxastane triterpenoids Terpenoids
CCMSLIB00003137120 1022 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.869824 205100.0 0 1.88212 8 0.000610352 324.29 1 temp/spectra_filtered.mgf1022 1 Spectral Match to Linoleoyl ethanolamide from NIST14 ESI qTof Isolated Data from Joshua Wollam Data deposited by fevargas M+H 324.289 323.282 1 68171528 N/A CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9- N/A 3 Positive GNPS-NIST14-MATCHES 324.289 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C20H37NO2 KQXDGUVSAAQARU-HZJYTTRNSA-N KQXDGUVSAAQARU Organic nitrogen compounds Organonitrogen compounds Amines Fatty amides N-acyl ethanolamines (endocannabinoids) Fatty acids
CCMSLIB00003137590 283 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.868311 899500.0 0 4618.36 7 1.0029 218.158 1 temp/spectra_filtered.mgf283 1 Spectral Match to Val-Val from NIST14 ESI qTof Isolated Data from Chris Turck Data deposited by fevargas M+H 217.155 216.147 1 3918943 N/A CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 217.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H20N2O3 KRNYOVHEKOBTEF-YUMQZZPRSA-N KRNYOVHEKOBTEF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010125789 20 spectra_filtered.mgf BERKELEY-LAB.mgf 0.867833 23936000.0 0 6355.22 6 1.06819 167.013 1 temp/spectra_filtered.mgf20 1 CARBAZOLE CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 168.081 0.0 1 N/A N/A c1ccc2c(c1)[nH]c1ccccc12 """InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H""" N/A 3 Positive BERKELEY-LAB 168.081 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H9N UJOBWOGCFQCDNV-UHFFFAOYSA-N UJOBWOGCFQCDNV Organoheterocyclic compounds Indoles and derivatives Carbazoles Tryptophan alkaloids Carbazole alkaloids Alkaloids
CCMSLIB00005435823 1160 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.867721 457800.0 0 2.72046 20 0.00170898 628.194 1 temp/spectra_filtered.mgf1160 1 Contaminant vial septum ThermoFisher C5000-44B LC-ESI Orbitrap Commercial Dorrestein lfnothias M+NH4 628.196 0.0 0 3 Positive GNPS-LIBRARY 628.196 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137548 284 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.866773 300200.0 0 16.8326 6 0.0072937 433.302 1 temp/spectra_filtered.mgf284 1 Spectral Match to Val-Val from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas 2M+H 433.309 0.0 1 3918943 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 433.309 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010101747 1306 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.863039 1195600.0 0 0.0781947 6 6.10352e-05 780.554 1 temp/spectra_filtered.mgf1306 1 PC(16:1/20:4); [M+H]+ C44H79N1O8P1 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+H 780.554 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 780.554 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137880 610 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.858382 571900.0 0 0.287738 6 9.15527e-05 318.181 1 temp/spectra_filtered.mgf610 1 Spectral Match to Ile-Trp from NIST14 ESI QQQ Isolated Data from Christopher A. Lowry Data deposited by fevargas M+H 318.181 317.174 1 N/A N/A CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)/t10-,14-,15-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 318.181 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C17H23N3O3 BVRPESWOSNFUCJ-LKTVYLICSA-N BVRPESWOSNFUCJ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005724038 750 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.851173 1282000.0 0 0.0 6 0.0 169.086 1 temp/spectra_filtered.mgf750 1 Germicidin D LC-ESI qTof Crude ECarlson AMarshall M+H 169.086 0.0 1 3 Positive GNPS-LIBRARY 169.086 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137489 319 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.849182 744100.0 0 6721.7 6 1.99719 295.129 1 temp/spectra_filtered.mgf319 1 Spectral Match to Phe-Met from NIST14 ESI qTof Isolated Data from Chris Turck Data deposited by fevargas M+H 297.126 296.12 1 N/A N/A CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 297.126 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H20N2O3S PYOHODCEOHCZBM-RYUDHWBXSA-N PYOHODCEOHCZBM Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003137753 358 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.848971 1827300.0 0 3.21071 10 0.000793457 247.129 1 temp/spectra_filtered.mgf358 1 Spectral Match to Asp-Leu from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas M+H 247.128 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 247.128 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000221244 519 spectra_filtered.mgf MASSBANK.mgf 0.843254 4923100.0 0 4092.04 6 0.928894 226.071 1 temp/spectra_filtered.mgf519 1 Massbank:KO009044 Metyrapone ESI LC-ESI-IT Isolated Putative Massbank Match Massbank [M+H]+ 227.0 0.0 1 54-36-4 N/A c(c2)ncc(c2)C(=O)C(C)(C)c(c1)cncc1 1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3 N/A 3 Positive MASSBANK 227.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H14N2O FJLBFSROUSIWMA-UHFFFAOYSA-N FJLBFSROUSIWMA Organic oxygen compounds Organooxygen compounds Carbonyl compounds Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00005738294 1378 spectra_filtered.mgf MASSBANK.mgf 0.843043 347200.0 0 4679.1 9 1.94333 413.378 1 temp/spectra_filtered.mgf1378 1 Massbank:RP010703 delta4-Dafachronic acid|3-Oxocholest-4-en-26-oic acid|(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic ac ESI qTof Isolated Massbank Massbank M+H 415.321 0.0 1 N/A N/A C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 N/A 3 Positive MASSBANK 415.321 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C27H42O3 PSXQJZDFWDKBIP-NNWQCNCGSA-N PSXQJZDFWDKBIP Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Steroids Cholestane steroids Terpenoids
CCMSLIB00006678258 1416 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.841744 4270000.0 0 0.0996401 15 6.10352e-05 612.556 1 temp/spectra_filtered.mgf1416 1 DAG (16:0/18:1) LC-ESI Orbitrap Other S Ding Su Ding M+NH4 612.556 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 612.556 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005788046 546 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.841109 1759700.0 0 0.303004 6 9.15527e-05 302.15 1 temp/spectra_filtered.mgf546 1 Trp-Pro LC-ESI qTof Lysate Aldo Moreno Ulloa Rommel A. Carballo-C, M+H 302.15 301.143 1 C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1 3 Positive GNPS-LIBRARY 302.15 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H19N3O3 DXYQIGZZWYBXSD-UHFFFAOYSA-N DXYQIGZZWYBXSD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005747606 304 spectra_filtered.mgf MASSBANK.mgf 0.840675 4680600.0 0 164.2 8 0.0510864 311.073 1 temp/spectra_filtered.mgf304 1 Massbank:PR311057 Glutamyltyrosine ESI qTof Isolated Massbank Massbank M+H 311.124 0.0 1 N/A N/A O=C(O)C(N)CCC(=O)NC(C(=O)O)CC1=CC=C(O)C=C1 1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22) N/A 3 Positive MASSBANK 311.124 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H18N2O6 VVLXCWVSSLFQDS-UHFFFAOYSA-N VVLXCWVSSLFQDS Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003140121 249 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.840462 210600.0 0 5828.3 6 0.96199 164.093 1 temp/spectra_filtered.mgf249 1 Spectral Match to L-Tyrosine from NIST14 ESI HCD Isolated Data from Pieter C Dorrestein Data deposited by negarg M+H-NH3 165.055 0.0 1 60184 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 165.055 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003135927 1104 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.840433 99400.0 0 5.83528 6 0.00149536 256.263 1 temp/spectra_filtered.mgf1104 1 Spectral Match to Palmitamide from NIST14 ESI HCD Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H 256.262 0.0 1 629549 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 256.262 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005740456 197 spectra_filtered.mgf MASSBANK.mgf 0.83929 10185000.0 0 4.46109 10 0.00131226 294.155 1 temp/spectra_filtered.mgf197 1 Massbank:PR310824 N-Fructosyl isoleucine ESI qTof Isolated Massbank Massbank M+H 294.156 0.0 1 N/A N/A O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) N/A 3 Positive MASSBANK 294.156 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H23NO7 VYGRYVGDPYFVCA-UHFFFAOYSA-N VYGRYVGDPYFVCA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00008851523 188 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.838639 123600.0 0 1.64512 9 0.000396729 241.155 1 temp/spectra_filtered.mgf188 1 N,N-dimethyl-proline-proline betaine LC-ESI qTof Lysate Fausto Carnevale Neto fcneto M+H 241.155 241.155 1 O=C(N1C(C(O)=O)CCC1)C2CCC[N+]2(C)C InChI=1S/C12H20N2O3/c1-14(2)8-4-6-10(14)11(15)13-7-3-5-9(13)12(16)17/h9-10H,3-8H2,1-2H3/p+1 3 Positive GNPS-LIBRARY 241.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A VOWFCBSRZKGKTF-UHFFFAOYSA-O VOWFCBSRZKGKTF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N/A N/A N/A
CCMSLIB00003139741 1167 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.838157 117800.0 0 18.2483 8 0.00518799 284.295 1 temp/spectra_filtered.mgf1167 1 Spectral Match to Octadecanamide from NIST14 ESI QQQ Isolated Data from Wolfender/Litaudon Data deposited by pmallard M+H 284.3 283.288 1 124265 N/A CCCCCCCCCCCCCCCCCC(=O)N InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20) N/A 3 Positive GNPS-NIST14-MATCHES 284.3 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H37NO LYRFLYHAGKPMFH-UHFFFAOYSA-N LYRFLYHAGKPMFH Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Fatty amides Primary amides Fatty acids
CCMSLIB00012272778 1129 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.837518 1137300.0 0 6.71839 10 0.00372314 554.176 1 temp/spectra_filtered.mgf1129 1 """(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol""" LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M+NH4]+ 554.172 268.069 1 N/A N/A CCNC1=NC2C(OC(C(F)F)C(O)C2O)S1 """InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1""" UDQTXCHQKHIQMH-KYGLGHNPSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 554.172 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H14F2N2O3S UDQTXCHQKHIQMH-UHFFFAOYSA-N UDQTXCHQKHIQMH N/A N/A N/A
CCMSLIB00012253695 560 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.836179 552690.0 0 4583.63 8 1.1008 239.058 1 temp/spectra_filtered.mgf560 1 isoetharine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 240.159 239.152 1 N/A N/A CCC(NC(C)C)C(O)c1cc(O)c(O)cc1 """InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3""" HUYWAWARQUIQLE-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 240.159 UPDATE-SINGLE-ANNOTATED-GOLD Gold C13H21NO3 HUYWAWARQUIQLE-UHFFFAOYSA-N HUYWAWARQUIQLE Benzenoids Phenols Benzenediols Tyrosine alkaloids Phenylethylamines Alkaloids
CCMSLIB00004694941 996 spectra_filtered.mgf MONA.mgf 0.835191 480600.0 0 4575.14 6 1.8493 402.358 1 temp/spectra_filtered.mgf996 1 eudesmin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003878 [M+NH4]+ 404.207 0.0 1 N/A N/A COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1 N/A 3 positive MONA 404.207 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C22H26O6 PEUUVVGQIVMSAW-RZTYQLBFSA-N PEUUVVGQIVMSAW N/A N/A N/A Lignans Furofuranoid lignans Shikimates and Phenylpropanoids
CCMSLIB00010094450 1464 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.833628 2287300.0 0 0.397253 6 0.000244141 614.572 1 temp/spectra_filtered.mgf1464 1 DG(16:0/18:0/0:0); [M+NH4]+ C37H76N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 614.572 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 614.572 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00006125255 236 spectra_filtered.mgf BIRMINGHAM-UHPLC-MS-NEG.mgf 0.833094 1357600.0 0 8994.17 6 1.925 212.103 1 temp/spectra_filtered.mgf236 1 3-Chloro-L-tyrosine - 30.0 eV ESI Orbitrap Isolated PI Data Collector M-H 214.028 0.0 1 N/A c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 N/A 1 Negative BIRMINGHAM-UHPLC-MS-NEG 214.028 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H10ClNO3 ACWBBAGYTKWBCD-ZETCQYMHSA-N ACWBBAGYTKWBCD Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Aminoacids Amino acids and Peptides
CCMSLIB00004718957 835 spectra_filtered.mgf MONA.mgf 0.831965 12609000.0 0 1.29377 22 0.0012207 943.525 1 temp/spectra_filtered.mgf835 1 (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid N/A ESI-QTOF isolated MoNA MoNA:VF-NPL-QTOF001302 [M+H]+ 943.526 0.0 1 N/A N/A C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 N/A 3 positive MONA 943.526 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C48H78O18 PTDAHAWQAGSZDD-VJQGOKKYSA-N PTDAHAWQAGSZDD Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00000007118 537 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.831692 651900.0 0 1.51931 9 0.000396729 261.124 1 temp/spectra_filtered.mgf537 1 cyclo(Phe-4-Hyp) DI-ESI qTof Isolated Keyzers R Keyzers M+H 261.124 260.116 1 0 N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 261.124 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005435820 1181 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.829629 458600.0 0 2823.06 22 1.97681 702.213 1 temp/spectra_filtered.mgf1181 1 Contaminant vial septum ThermoFisher C5000-44B LC-ESI Orbitrap Commercial Dorrestein lfnothias M+NH4 700.236 0.0 0 3 Positive GNPS-LIBRARY 700.236 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003136110 134 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.829235 7769000.0 0 2.57508 9 0.000595093 231.098 1 temp/spectra_filtered.mgf134 1 Spectral Match to Asp-Pro from NIST14 ESI QQQ Isolated Data from Rob Knight Data deposited by amelnik M+H 231.097 230.09 1 N/A N/A C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 231.097 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H14N2O5 UKGGPJNBONZZCM-WDSKDSINSA-N UKGGPJNBONZZCM Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010094813 1460 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.827847 584100.0 0 0.814028 14 0.000671387 824.77 1 temp/spectra_filtered.mgf1460 1 TG(16:0/16:0/16:0); [M+NH4]+ C51H102N1O6 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+NH4 824.771 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 824.771 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011427795 1113 spectra_filtered.mgf LEAFBOT.mgf 0.827536 123800.0 0 4385.63 6 1.99701 457.35 1 temp/spectra_filtered.mgf1113 1 """BOSWELLIC ACID, B""" ESI Orbitrap Commercial Cech Vicky Anderson M-H 455.353 456.36 -1 631-69-6 N/A CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C """InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)""" N/A 1 Negative LEAFBOT 455.353 UPDATE-SINGLE-ANNOTATED-GOLD Gold C30H48O3 NBGQZFQREPIKMG-UHFFFAOYSA-N NBGQZFQREPIKMG Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Serratane triterpenoids|Ursane and Taraxastane triterpenoids Terpenoids
CCMSLIB00012472351 1075 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.825962 800000.0 0 2.58251 9 0.00158691 614.483 1 temp/spectra_filtered.mgf1075 1 L-lysine_(E) -dec-2-enoyl chloride LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M+NH4]+ 614.485 298.226 1 N/A N/A CCCCCCC/C=C/C(=O)NCCCC[C@H](N)C(=O)O InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-13-10-9-11-14(17)16(20)21/h8,12,14H,2-7,9-11,13,17H2,1H3,(H,18,19)(H,20,21)/b12-8+/t14-/m0/s1 N/A 1 Positive CMMC-LIBRARY 614.485 UPDATE-SINGLE-ANNOTATED-GOLD Gold C16H30N2O3 KALOTFZSTYHNHE-BCNIOPEESA-N KALOTFZSTYHNHE N/A N/A N/A
CCMSLIB00003134913 155 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.82452 2043300.0 0 9199.57 6 1.97919 217.118 1 temp/spectra_filtered.mgf155 1 Spectral Match to Val-Pro from NIST14 ESI Q-TOF Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 215.139 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 215.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012257900 1062 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.824483 385000.0 0 8.77086 14 0.00421143 480.157 1 temp/spectra_filtered.mgf1062 1 713139-25-4 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+K]+ 480.161 441.197 1 N/A N/A CC1CCC(C(=O)N(c2c(C(=O)O)sc(-c3ccccc3)c2)C2CCC(O)CC2)CC1 """InChI=1S/C25H31NO4S/c1-16-7-9-18(10-8-16)24(28)26(19-11-13-20(27)14-12-19)21-15-22(31-23(21)25(29)30)17-5-3-2-4-6-17/h2-6,15-16,18-20,27H,7-14H2,1H3,(H,29,30)""" CKVYPTIWERNFSU-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 480.161 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H31NO4S CKVYPTIWERNFSU-UHFFFAOYSA-N CKVYPTIWERNFSU N/A N/A N/A Terpenoids
CCMSLIB00010011254 323 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.82346 232600.0 0 1972.74 7 0.860809 437.214 1 temp/spectra_filtered.mgf323 1 His-C19:0 ESI qTof Crude Dorrestein Emily Gentry M+H 436.353 435.346 1 N/A N/A CCCCCCCCCCCCCCCCCCC(NC(CC1=NC=CN1)C(O)=O)=O InChI=1S/C25H45N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)28-22(25(30)31)21-23-26-19-20-27-23/h19-20,22H,2-18,21H2,1H3,(H,26,27)(H,28,29)(H,30,31) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 436.353 UPDATE-SINGLE-ANNOTATED-SILVER Silver C25H45N3O3 MVAGPCAGHWWGMS-UHFFFAOYSA-N MVAGPCAGHWWGMS Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids
CCMSLIB00005747823 824 spectra_filtered.mgf MASSBANK.mgf 0.820648 1092700.0 0 1.14498 25 0.00109863 959.52 1 temp/spectra_filtered.mgf824 1 Massbank:PR304289 Soyasaponin Ba ESI qTof Isolated Massbank Massbank M+H 959.521 0.0 1 N/A N/A CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1 1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) N/A 3 Positive MASSBANK 959.521 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C48H78O19 WFRQIKSNAYYUJZ-UHFFFAOYSA-N WFRQIKSNAYYUJZ Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00000211282 470 spectra_filtered.mgf RESPECT.mgf 0.818619 923000.0 0 694.564 6 0.128494 185.128 1 temp/spectra_filtered.mgf470 1 ReSpect:PM014403 Cyclo(Ala-Leu) ESI Ion Trap Isolated Putative ReSpect Match ReSpect M+H 185.0 184.121 1 18384195 C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1 N/A 3 Positive RESPECT 185.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C9H16N2O2 DBJPZCJQDRPOME-BQBZGAKWSA-N DBJPZCJQDRPOME Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptide alkaloids|Small peptides Dipeptides|Simple diketopiperazine alkaloids Alkaloids|Amino acids and Peptides
CCMSLIB00006359030 800 spectra_filtered.mgf BMDMS-NP.mgf 0.818586 311600.0 0 3701.72 11 1.00339 272.063 1 temp/spectra_filtered.mgf800 1 Genistein ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 271.06 270.053 1 N/A N/A O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H N/A 1 Positive BMDMS-NP 271.06 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H10O5 TZBJGXHYKVUXJN-UHFFFAOYSA-N TZBJGXHYKVUXJN Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00000848445 758 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.81848 1026600.0 0 1.21237 27 0.00134277 1107.56 1 temp/spectra_filtered.mgf758 1 NCGC00180022-02!6-[[(3S,4S,6aR,8aR,9S,10R,12aS,14bR)-9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+H 1107.56 1106.55 1 n/a n/a CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(O)=O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22-,23?,24?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42+,44?,45?,46?,47?,49+,50-,51+,52?,53+/m0/s1 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 1107.56 UPDATE-SINGLE-ANNOTATED-GOLD Gold C53H86O24 QSWYVJWAKZGGIL-BQHOWTECSA-N QSWYVJWAKZGGIL Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00012472792 1343 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.817513 26403000.0 0 5.15181 7 0.00341797 663.453 1 temp/spectra_filtered.mgf1343 1 L-phenylalanine_dodecanoic acid LC-ESI Orbitrap Commercial Pieter C. Dorrestein Victoria Deleray [2M-3H2O+Na]+ 663.45 347.246 1 N/A N/A CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O InChI=1S/C21H33NO3/c1-2-3-4-5-6-7-8-9-13-16-20(23)22-19(21(24)25)17-18-14-11-10-12-15-18/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1 N/A 1 Positive CMMC-LIBRARY 663.45 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H33NO3 RKQUHHNIJVGMIG-IBGZPJMESA-N RKQUHHNIJVGMIG N/A N/A N/A Fatty amides N-acyl amines Fatty acids
CCMSLIB00003139611 446 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.816779 908600.0 0 4.98687 9 0.00131226 263.141 1 temp/spectra_filtered.mgf446 1 Spectral Match to Met-Leu from NIST14 ESI Q-TOF Isolated Data from Chris Turck Data deposited by fevargas M+H 263.142 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 263.142 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010093716 1435 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.813913 2315600.0 0 0.681879 9 0.000427246 626.572 1 temp/spectra_filtered.mgf1435 1 DG(17:0/18:1/0:0); [M+NH4]+ C38H76N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 626.572 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 626.572 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137737 164 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.813135 1139400.0 0 4.61899 6 0.00131226 284.099 1 temp/spectra_filtered.mgf164 1 Spectral Match to Guanosine from NIST14 ESI Q-TOF Isolated Data from Dorrestein Data deposited by quinnr M+H 284.1 0.0 1 118003 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 284.1 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011906249 341 spectra_filtered.mgf TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0.812567 106900.0 0 12.9437 6 0.00239563 185.079 1 temp/spectra_filtered.mgf341 1 Asperlactone ESI Orbitrap Isolated Daniel Petras """Giovanni Andrea Vitale, Christian Geibel""" M+H 185.081 184.074 1 N/A N/A CC1C(O1)C2=CC(OC2=O)C(C)O InChI=1S/C9H12O4/c1-4(10)7-3-6(9(11)13-7)8-5(2)12-8/h3-5,7-8,10H,1-2H3 N/A 1 Positive TUEBINGEN-NATURAL-PRODUCT-COLLECTION 185.081 UPDATE-SINGLE-ANNOTATED-GOLD Gold C9H12O4 VMLNPJDEXLLCQG-UHFFFAOYSA-N VMLNPJDEXLLCQG Organoheterocyclic compounds Dihydrofurans Furanones Cyclic polyketides Polyketides
CCMSLIB00012270739 1064 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.812139 762200.0 0 2.83346 15 0.00131226 463.13 1 temp/spectra_filtered.mgf1064 1 630407-66-8 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [2M-H2O+2H]+2 463.129 471.127 1 N/A N/A COc1c(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc2CCN(C)CCc2c1 """InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3""" HIBWHHQXUSKNOV-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 463.129 UPDATE-SINGLE-ANNOTATED-GOLD Gold C25H26ClNO4S HIBWHHQXUSKNOV-UHFFFAOYSA-N HIBWHHQXUSKNOV N/A N/A N/A Tyrosine alkaloids Isoquinoline alkaloids Alkaloids
CCMSLIB00005749482 618 spectra_filtered.mgf MASSBANK.mgf 0.811765 5353000.0 0 4752.22 9 1.0034 212.147 1 temp/spectra_filtered.mgf618 1 Massbank:PR300811 Cyclo(proline-leucine) ESI qTof Isolated Massbank Massbank M+H 211.144 0.0 1 N/A N/A CC(C)CC1N=C(O)C2CCCN2C1=O 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) N/A 3 Positive MASSBANK 211.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O2 SZJNCZMRZAUNQT-UHFFFAOYSA-N SZJNCZMRZAUNQT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Amino acids and Peptides
CCMSLIB00011434739 187 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.811608 1872500.0 0 9112.41 7 1.97881 219.134 1 temp/spectra_filtered.mgf187 1 Lys-C4:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 217.155 216.147 1 N/A N/A CCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 217.155 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H20N2O3 VAWJDJJVJBQDHP-UHFFFAOYSA-N VAWJDJJVJBQDHP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010103761 833 spectra_filtered.mgf BERKELEY-LAB.mgf 0.8102 578500.0 0 583.793 7 0.106888 182.985 1 temp/spectra_filtered.mgf833 1 HARMANE CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 183.092 0.0 1 N/A N/A Cc1nccc2c1[nH]c1ccccc12 """InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3""" N/A 3 Positive BERKELEY-LAB 183.092 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H10N2 PSFDQSOCUJVVGF-UHFFFAOYSA-N PSFDQSOCUJVVGF N/A N/A N/A Tryptophan alkaloids Carboline alkaloids Alkaloids
CCMSLIB00000425937 51 spectra_filtered.mgf HMDB.mgf 0.807902 6363400.0 0 2879.98 6 0.98819 342.136 1 temp/spectra_filtered.mgf51 1 HMDB:HMDB00055-87 Cellobiose Positive Quattro_QQQ:10eV Isolated HMDB HMDB M+H 343.124 342.116 1 528-50-7 N/A OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 N/A 3 Positive HMDB 343.124 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H22O11 GUBGYTABKSRVRQ-QRZGKKJRSA-N GUBGYTABKSRVRQ Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Disaccharides|Polysaccharides Carbohydrates
CCMSLIB00004720561 1339 spectra_filtered.mgf MONA.mgf 0.807793 1027300.0 0 1564.07 17 0.952881 610.184 1 temp/spectra_filtered.mgf1339 1 Baccatin III N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF026980 [M+Na]+ 609.231 0.0 1 N/A N/A CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1 N/A 3 positive MONA 609.231 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C31H38O11 OVMSOCFBDVBLFW-VHLOTGQHSA-N OVMSOCFBDVBLFW Lipids and lipid-like molecules Prenol lipids Diterpenoids Diterpenoids Taxane diterpenoids|Tetracyclic diterpenoids Terpenoids
CCMSLIB00010104728 471 spectra_filtered.mgf BERKELEY-LAB.mgf 0.804169 486400.0 0 3223.49 6 0.951202 294.134 1 temp/spectra_filtered.mgf471 1 N-[2-(5-chloroindol-3-yl)ethyl]propanamide CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+formate 295.085 0.0 1 N/A N/A CCC(O)=NCCc1c[nH]c2ccc(Cl)cc12 """InChI=1S/C13H15ClN2O/c1-2-13(17)15-6-5-9-8-16-12-4-3-10(14)7-11(9)12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)""" N/A 3 Negative BERKELEY-LAB 295.085 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C13H15ClN2O ORWWIGSFLHONFB-UHFFFAOYSA-N ORWWIGSFLHONFB Organoheterocyclic compounds Indoles and derivatives Indoles Tryptophan alkaloids Simple indole alkaloids Alkaloids
CCMSLIB00012252539 211 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.80276 346000.0 0 0.37125 11 0.000183105 493.214 1 temp/spectra_filtered.mgf211 1 N-Acetylmuramyl-L-alanyl-L-isoglutamine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 493.214 492.207 1 N/A N/A CC(=O)N(C(C)C(=O)NC(CCC(=O)O)C(N)=O)C1OC(CO)C(O)C(OC(C)C(=O)O)C1N """InChI=1S/C19H32N4O11/c1-7(17(30)22-10(16(21)29)4-5-12(26)27)23(9(3)25)18-13(20)15(33-8(2)19(31)32)14(28)11(6-24)34-18/h7-8,10-11,13-15,18,24,28H,4-6,20H2,1-3H3,(H2,21,29)(H,22,30)(H,26,27)(H,31,32)/t7-,8+,10-,11+,13+,14+,15+,18?/m0/s1""" JLUXOCLCUOPGIV-ODNGNKHWSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 493.214 UPDATE-SINGLE-ANNOTATED-GOLD Gold C19H32N4O11 JLUXOCLCUOPGIV-UHFFFAOYSA-N JLUXOCLCUOPGIV N/A N/A N/A Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005747606 309 spectra_filtered.mgf MASSBANK.mgf 0.801587 6179000.0 0 1.27515 9 0.000396729 311.124 1 temp/spectra_filtered.mgf309 1 Massbank:PR311057 Glutamyltyrosine ESI qTof Isolated Massbank Massbank M+H 311.124 0.0 1 N/A N/A O=C(O)C(N)CCC(=O)NC(C(=O)O)CC1=CC=C(O)C=C1 1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22) N/A 3 Positive MASSBANK 311.124 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H18N2O6 VVLXCWVSSLFQDS-UHFFFAOYSA-N VVLXCWVSSLFQDS Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00006581640 1063 spectra_filtered.mgf GNPS-SCIEX-LIBRARY.mgf 0.799243 800900.0 0 3497.65 15 0.983704 280.263 1 temp/spectra_filtered.mgf1063 1 linoleic acid LC-ESI qTof Commercial Michael Witting Michael Witting [M+H]+ 281.247 280.24 1 N/A N/A CCCCC\C=C/C\C=C/CCCCCCCC(O)=O """InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-""" OYHQOLUKZRVURQ-HZJYTTRNSA-N 1 Positive GNPS-SCIEX-LIBRARY 281.247 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N OYHQOLUKZRVURQ Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Fatty Acids and Conjugates Unsaturated fatty acids Fatty acids
CCMSLIB00003135400 218 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.79845 1324000.0 0 7591.3 8 1.99759 261.144 1 temp/spectra_filtered.mgf218 1 Spectral Match to Ile-Met from NIST14 ESI Q-TOF Isolated Data from Joshua Wollam Data deposited by fevargas M+H 263.142 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 263.142 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011434721 30 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.797195 842000.0 0 4058.97 11 0.995102 246.156 1 temp/spectra_filtered.mgf30 1 Arg-C4:0 ESI Orbitrap Commercial Dorrestein Ipsita M+H 245.161 244.154 1 N/A N/A CCCC(NC(C(O)=O)CCCNC(N)=N)=O InChI=1S/C10H20N4O3/c1-2-4-8(15)14-7(9(16)17)5-3-6-13-10(11)12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 245.161 UPDATE-SINGLE-ANNOTATED-GOLD Gold C10H20N4O3 XHXFSMZBXZZZIT-UHFFFAOYSA-N XHXFSMZBXZZZIT Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00011427856 999 spectra_filtered.mgf LEAFBOT.mgf 0.793758 94400.0 0 1990.89 6 0.934387 470.266 1 temp/spectra_filtered.mgf999 1 """GLYCYRRHETINIC ACID, 18a-2""" ESI Orbitrap Commercial Cech Vicky Anderson M-H 469.332 470.34 -1 1449-05-04 N/A CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C """InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)""" N/A 1 Negative LEAFBOT 469.332 UPDATE-SINGLE-ANNOTATED-GOLD Gold C30H46O4 MPDGHEJMBKOTSU-UHFFFAOYSA-N MPDGHEJMBKOTSU Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00012260360 1110 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.793672 543000.0 0 0.0 8 0.0 282.279 1 temp/spectra_filtered.mgf1110 1 phytosphingosine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M-2H2O+H]+ 282.279 317.293 1 N/A N/A CCCCCCCCCCCCCCC(O)C(O)C(N)CO """InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1""" AERBNCYCJBRYDG-KSZLIROESA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 282.279 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H39NO3 AERBNCYCJBRYDG-UHFFFAOYSA-N AERBNCYCJBRYDG Organic nitrogen compounds Organonitrogen compounds Amines Sphingolipids Sphingoid bases Fatty acids
CCMSLIB00000855926 855 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.792559 569500.0 0 0.129654 26 0.00012207 941.51 1 temp/spectra_filtered.mgf855 1 NCGC00385557-01_C48H76O18_ LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+H 941.51 940.503 1 n/a n/a C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 941.51 UPDATE-SINGLE-ANNOTATED-GOLD Gold C48H76O18 CROUPKILZUPLQA-SXXIBTJASA-N CROUPKILZUPLQA Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00012249708 1014 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.791874 475000.0 0 0.0 15 0.0 634.452 1 temp/spectra_filtered.mgf1014 1 Nonoxynol-9 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+NH4]+ 634.452 616.419 1 N/A N/A CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 """InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3""" FBWNMEQMRUMQSO-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 634.452 UPDATE-SINGLE-ANNOTATED-GOLD Gold C33H60O10 FBWNMEQMRUMQSO-UHFFFAOYSA-N FBWNMEQMRUMQSO Organic oxygen compounds Organooxygen compounds Ethers Glycerophospholipids Fatty acids
CCMSLIB00004697688 989 spectra_filtered.mgf MONA.mgf 0.788408 1784200.0 0 2430.45 15 1.09668 452.322 1 temp/spectra_filtered.mgf989 1 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF006625 [M+K]+ 451.225 0.0 1 N/A N/A Oc1cc(O)cc(CCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h1,3,15-20,27-30H,2,4-14H2/b3-1- N/A 3 positive MONA 451.225 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C26H36O4 INRCFVYVWPWZJS-IWQZZHSRSA-N INRCFVYVWPWZJS Benzenoids Phenols Benzenediols Aromatic polyketides Catechols with side chains Polyketides
CCMSLIB00012176681 1295 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.78768 5266800.0 0 2555.8 9 1.00787 393.339 1 temp/spectra_filtered.mgf1295 1 Lithocholyl_Pyrrolidine_NCE45 ESI Orbitrap Dorrestein Ipsita Mohanty M-2H2O+H 394.347 429.361 1 O[C@@H]1CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])[C@@H](CCC(N5CCCC5)=O)C)C)[H])C InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1 N/A 1 Positive CMMC-LIBRARY 394.347 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H47NO2 GZUYSQKYZTZUHP-WQKHHYSQSA-N GZUYSQKYZTZUHP N/A N/A N/A Steroids Cholane steroids Terpenoids
CCMSLIB00010072451 1376 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.787495 763500.0 0 0.730929 7 0.000427246 584.525 1 temp/spectra_filtered.mgf1376 1 DG(16:0/16:1/0:0); [M+NH4]+ C35H70N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 584.525 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 584.525 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003139758 1309 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.7873 1409200.0 0 7.36761 6 0.0032959 447.347 1 temp/spectra_filtered.mgf1309 1 Spectral Match to Diisodecyl phthalate from NIST14 ESI HCD Isolated Data from Maria Maansson Data deposited by marjo M+H 447.35 0.0 1 26761400 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 447.35 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005725131 140 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.785955 5194900.0 0 4122.83 6 1.03551 250.128 1 temp/spectra_filtered.mgf140 1 9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one ESI Orbitrap Isolated Wolfender Luis Quiros-Guerrero M+H 251.164 250.157 1 N/A N/A CC(CCC1)C(C)(CC2=C3C)C1CC2(O)OC3=O InChI=1S/C15H22O3/c1-9-5-4-6-11-7-15(17)12(8-14(9,11)3)10(2)13(16)18-15/h9,11,17H,4-8H2,1-3H3 N/A 1 Positive GNPS-LIBRARY 251.164 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H22O3 QKYLNUXCPSRUNA-UHFFFAOYSA-N QKYLNUXCPSRUNA Lipids and lipid-like molecules Prenol lipids Terpene lactones Sesquiterpenoids Eremophilane sesquiterpenoids Terpenoids
CCMSLIB00009918508 238 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.785678 3536000.0 0 3771.19 6 0.999908 264.144 1 temp/spectra_filtered.mgf238 1 Tanacetin ESI Orbitrap Isolated Ablajan Ablajan M+H 265.144 0.0 0 1401-54-3 O[C@H](CC1)[C@@]2(C)[C@]([C@@H](OC(C3=C)=O)[C@H]3CC2)(O)C1=C InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1 3 Positive GNPS-LIBRARY 265.144 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H20O4 CFUWPZZLCJXNSQ-XXUMUBMXSA-N CFUWPZZLCJXNSQ Lipids and lipid-like molecules Prenol lipids Terpene lactones Sesquiterpenoids Eudesmane sesquiterpenoids Terpenoids
CCMSLIB00003137398 149 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.78512 4082000.0 0 4284.26 8 1.00729 236.122 1 temp/spectra_filtered.mgf149 1 Spectral Match to His-Pro from NIST14 ESI qTof Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 235.115 252.122 1 N/A N/A C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 235.115 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H16N4O3 LNCFUHAPNTYMJB-IUCAKERBSA-N LNCFUHAPNTYMJB Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00000221244 388 spectra_filtered.mgf MASSBANK.mgf 0.784735 1729200.0 0 4092.51 7 0.929001 226.071 1 temp/spectra_filtered.mgf388 1 Massbank:KO009044 Metyrapone ESI LC-ESI-IT Isolated Putative Massbank Match Massbank [M+H]+ 227.0 0.0 1 54-36-4 N/A c(c2)ncc(c2)C(=O)C(C)(C)c(c1)cncc1 1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3 N/A 3 Positive MASSBANK 227.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C14H14N2O FJLBFSROUSIWMA-UHFFFAOYSA-N FJLBFSROUSIWMA Organic oxygen compounds Organooxygen compounds Carbonyl compounds Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00010011105 78 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.784466 4836000.0 0 4078.99 6 1.05728 258.145 1 temp/spectra_filtered.mgf78 1 Lys-C7:0 ESI qTof Crude Dorrestein Emily Gentry M+H 259.202 258.194 1 N/A N/A CCCCCCC(NC(CCCCN)C(O)=O)=O InChI=1S/C13H26N2O3/c1-2-3-4-5-9-12(16)15-11(13(17)18)8-6-7-10-14/h11H,2-10,14H2,1H3,(H,15,16)(H,17,18) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 259.202 UPDATE-SINGLE-ANNOTATED-SILVER Silver C13H26N2O3 RKGFAOMXVFOENP-UHFFFAOYSA-N RKGFAOMXVFOENP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides|Small peptides Dipeptides|N-acyl amines Amino acids and Peptides|Fatty acids
CCMSLIB00012254917 1044 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.782643 292800.0 0 0.203292 10 0.00012207 600.468 1 temp/spectra_filtered.mgf1044 1 Polidocanol LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+NH4]+ 600.468 582.434 1 N/A N/A CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO """InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3""" ONJQDTZCDSESIW-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 600.468 UPDATE-SINGLE-ANNOTATED-GOLD Gold C30H62O10 ONJQDTZCDSESIW-UHFFFAOYSA-N ONJQDTZCDSESIW Organic oxygen compounds Organooxygen compounds Ethers Glycerolipids Triacylglycerols Fatty acids
CCMSLIB00005435820 1151 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.781793 509800.0 0 2823.75 20 1.97729 702.213 1 temp/spectra_filtered.mgf1151 1 Contaminant vial septum ThermoFisher C5000-44B LC-ESI Orbitrap Commercial Dorrestein lfnothias M+NH4 700.236 0.0 0 3 Positive GNPS-LIBRARY 700.236 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005723103 293 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.781589 3706900.0 0 3038.6 6 1.00012 328.139 1 temp/spectra_filtered.mgf293 1 NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match] LC-ESI Orbitrap Commercial Pieter Dorrestein lfnothias/robinschmid [M+H]+ 329.139 328.131 1 N/A N/A CC1CC(=O)C2=C(CCC3(O)C(O)C4=C(C=CC=C4O)C(=O)C23)C1 InChI=1S/C19H20O5/c1-9-7-10-5-6-19(24)16(14(10)13(21)8-9)17(22)11-3-2-4-12(20)15(11)18(19)23/h2-4,9,16,18,20,23-24H,5-8H2,1H3 N/A 3 Positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 329.139 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C19H20O5 CRULJZWXPCYLAC-UHFFFAOYSA-N CRULJZWXPCYLAC N/A N/A N/A Polycyclic aromatic polyketides Angucyclines Polyketides
CCMSLIB00005774197 575 spectra_filtered.mgf MASSBANK.mgf 0.780755 768000.0 0 9998.63 6 1.99071 197.107 1 temp/spectra_filtered.mgf575 1 Massbank:AU243703 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)|2-Amino-3-methylimidazo[4,5-f]quinoline|3-methylimidazo[4,5-f]quinolin-2-amine ESI qTof Isolated Massbank Massbank M+H 199.098 0.0 1 76180-96-6 N/A CN1C(N)=NC2=C1C=CC1=NC=CC=C21 1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14) N/A 3 Positive MASSBANK 199.098 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H10N4 ARZWATDYIYAUTA-UHFFFAOYSA-N ARZWATDYIYAUTA N/A N/A N/A Anthranilic acid alkaloids Alkaloids
CCMSLIB00010058756 609 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.779193 556800.0 0 2409.02 7 1.36969 567.197 1 temp/spectra_filtered.mgf609 1 Cer(d18:0/18:0); [M+H]+ C36H74N1O3 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+H 568.567 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 568.567 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00004720651 232 spectra_filtered.mgf MONA.mgf 0.778984 111100.0 0 0.579264 8 0.000183105 316.1 1 temp/spectra_filtered.mgf232 1 N-Acetylmuramic Acid N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF027070 [M+Na]+ 316.1 0.0 1 N/A N/A CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1 N/A 3 positive MONA 316.1 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H19NO8 MNLRQHMNZILYPY-MDMHTWEWSA-N MNLRQHMNZILYPY Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates
CCMSLIB00004694941 984 spectra_filtered.mgf MONA.mgf 0.778728 252800.0 0 4575.59 6 1.84949 402.358 1 temp/spectra_filtered.mgf984 1 eudesmin N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF003878 [M+NH4]+ 404.207 0.0 1 N/A N/A COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1 N/A 3 positive MONA 404.207 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C22H26O6 PEUUVVGQIVMSAW-RZTYQLBFSA-N PEUUVVGQIVMSAW N/A N/A N/A Lignans Furofuranoid lignans Shikimates and Phenylpropanoids
CCMSLIB00012258188 844 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.778099 165100.0 0 4562.43 7 0.958694 211.087 1 temp/spectra_filtered.mgf844 1 Centanafadine LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 210.128 209.12 1 N/A N/A c1ccc2cc(C34CNCC3C4)ccc2c1 """InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1""" HKHCSWPSUSWGLI-CABCVRRESA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 210.128 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H15N HKHCSWPSUSWGLI-UHFFFAOYSA-N HKHCSWPSUSWGLI N/A N/A N/A Alkaloids
CCMSLIB00003137749 676 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.775264 852500.0 0 4090.5 8 1.0027 246.132 1 temp/spectra_filtered.mgf676 1 Spectral Match to Phe-Pro from NIST14 ESI Q-TOF Isolated Data from Pieter Dorrestein Data deposited by lfnothias M+H-H2O 245.129 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 245.129 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000081169 474 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.773675 1294000.0 0 6.65638 6 0.00120544 181.097 1 temp/spectra_filtered.mgf474 1 1,6-propano-3-ethylideno-1,4-piperazine-2,5-dione LC-ESI Ion Trap Crude CCLiaw, YLYang YLYang M+H 181.096 181.098 1 3 Positive GNPS-LIBRARY 181.096 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000221420 392 spectra_filtered.mgf MASSBANK.mgf 0.772639 497800.0 0 212.525 6 0.0555115 261.145 1 temp/spectra_filtered.mgf392 1 Massbank:MT000016 gamma-Glutamylleucine ESI LC-ESI-IT Isolated Putative Massbank Match Massbank [M+H]+ 261.2 0.0 1 2566-39-4 N/A CC(C)CC(C(O)=O)NC(=O)CCC(N)C(O)=O 1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 N/A 3 Positive MASSBANK 261.2 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H20N2O5 MYFMARDICOWMQP-UHFFFAOYSA-N MYFMARDICOWMQP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003134601 292 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.77256 1294800.0 0 7213.26 8 1.99881 279.101 1 temp/spectra_filtered.mgf292 1 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14 ESI HCD Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 277.102 0.0 1 1116229 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 277.102 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00000854771 843 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.770746 3048000.0 0 1.20264 21 0.00109863 913.515 1 temp/spectra_filtered.mgf843 1 NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+H 913.516 912.508 1 n/a n/a C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-14-47(20-48)25(43(28,4)5)11-13-46(8)26(47)10-9-22-23-17-42(2,3)18-27(50)44(23,6)15-16-45(22,46)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44+,45+,46+,47+/m0/s1 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 913.516 UPDATE-SINGLE-ANNOTATED-GOLD Gold C47H76O17 NOKUIKNJHIHLGT-LMQYYACCSA-N NOKUIKNJHIHLGT Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00010007705 281 spectra_filtered.mgf GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0.769961 573500.0 0 4709.49 6 1.9834 419.166 1 temp/spectra_filtered.mgf281 1 rhaponticin LC-ESI qTof Isolated Sang Hee SHIM Kyo Bin Kang Eunah JEONG Seungju SON M+H 421.149 420.142 1 155-58-8 N/A COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O """1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1""" N/A 1 Positive GNPS-SAM-SIK-KANG-LEGACY-LIBRARY 421.149 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H24O9 GKAJCVFOJGXVIA-DXKBKAGUSA-N GKAJCVFOJGXVIA Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Stilbenoids Monomeric stilbenes Shikimates and Phenylpropanoids
CCMSLIB00000081178 262 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.768531 2753500.0 0 3.52526 7 0.000701904 199.108 1 temp/spectra_filtered.mgf262 1 cyclo-(Thr-Pro) LC-ESI Ion Trap Crude CCLiaw, YLYang YLYang M+H 199.107 199.108 1 3 Positive GNPS-LIBRARY 199.107 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010103022 94 spectra_filtered.mgf BERKELEY-LAB.mgf 0.764145 871200.0 0 1436.02 8 0.982605 685.239 1 temp/spectra_filtered.mgf94 1 Stachyose CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+NH4 684.256 0.0 1 N/A N/A OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O """InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1""" N/A 3 Positive BERKELEY-LAB 684.256 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C24H42O21 UQZIYBXSHAGNOE-XNSRJBNMSA-N UQZIYBXSHAGNOE Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Saccharides Polysaccharides Carbohydrates
CCMSLIB00005435769 445 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.763038 316500.0 0 4656.35 7 1.05739 228.142 1 temp/spectra_filtered.mgf445 1 Pyrenocine B putative LC-ESI Orbitrap Crude Dorrestein lfnothias M+H 227.085 0.0 1 CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O InChI=1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3 3 Positive GNPS-LIBRARY 227.085 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H14O5 NXDGLHJHHJJTSZ-UHFFFAOYSA-N NXDGLHJHHJJTSZ Organic oxygen compounds Organooxygen compounds Carbonyl compounds Cyclic polyketides 2-pyrone derivatives Polyketides
CCMSLIB00003135657 1200 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.760427 1314300.0 0 1.17742 6 0.000305176 259.19 1 temp/spectra_filtered.mgf1200 1 Spectral Match to Dibutyl adipate from NIST14 ESI HCD Isolated Data from Wolfender Data deposited by pmallard M+H 259.19 0.0 1 105997 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 259.19 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010058337 1379 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.758182 643000.0 0 1237.11 14 1.00299 811.758 1 temp/spectra_filtered.mgf1379 1 TG(14:0/16:0/17:0); [M+NH4]+ C50H100N1O6 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+NH4 810.755 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 810.755 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010095078 1427 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.752425 299000.0 0 0.382323 8 0.000244141 638.572 1 temp/spectra_filtered.mgf1427 1 DG(18:0/18:2/0:0); [M+NH4]+ C39H76N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 638.572 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 638.572 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010058456 559 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.751563 10007000.0 0 1332.64 6 0.682983 513.187 1 temp/spectra_filtered.mgf559 1 Cer(d18:0/14:0); [M+H]+ C32H66N1O3 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+H 512.504 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 512.504 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011434917 272 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.749496 1711500.0 0 8020.04 8 1.9742 248.132 1 temp/spectra_filtered.mgf272 1 histamine-C7:0 ESI Orbitrap Commercial Dorrestein Ipsita M+Na 246.158 223.168 1 N/A N/A CCCCCCC(NCCC1=NC=CN1)=O InChI=1S/C12H21N3O/c1-2-3-4-5-6-12(16)15-8-7-11-13-9-10-14-11/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 246.158 UPDATE-SINGLE-ANNOTATED-GOLD Gold C12H21N3O JKOKHSNKLWUGQQ-UHFFFAOYSA-N JKOKHSNKLWUGQQ Lipids and lipid-like molecules Fatty Acyls Fatty amides Nicotinic acid alkaloids|Histidine alkaloids Imidazole alkaloids|Pyridine alkaloids Alkaloids
CCMSLIB00000565864 124 spectra_filtered.mgf MONA.mgf 0.747722 3405900.0 0 3003.57 6 0.838898 280.139 1 temp/spectra_filtered.mgf124 1 MoNA:3488274 Lin LC-ESI-IT LC-ESI-IT isolated MoNA MoNA [M-H]- 279.3 0.0 1 N/A N/A CCCCC/C=C\C/C=C\CCCCCCCC(=O)O InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/f/h19H N/A 3 MONA 279.3 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N OYHQOLUKZRVURQ Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Fatty Acids and Conjugates Unsaturated fatty acids Fatty acids
CCMSLIB00005436264 1320 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.747174 2420400.0 0 0.455346 14 0.000244141 536.165 1 temp/spectra_filtered.mgf1320 1 Contaminants septum vial Thermo C4000-53 and C4000-54 serie LC-ESI Orbitrap Crude Dorrestein lfnothias M+H 536.165 0.0 0 3 Positive GNPS-LIBRARY 536.165 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00004702012 917 spectra_filtered.mgf MONA.mgf 0.746644 10471000.0 0 2630.13 6 1.09183 416.215 1 temp/spectra_filtered.mgf917 1 asperuloside N/A ESI-QFT isolated MoNA MoNA:VF-NPL-QEHF010949 [M+H]+ 415.123 0.0 1 N/A N/A CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32 InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1 N/A 3 positive MONA 415.123 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H22O11 IBIPGYWNOBGEMH-DILZHRMZSA-N IBIPGYWNOBGEMH Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Monoterpenoids Iridoids monoterpenoids Terpenoids
CCMSLIB00005743748 242 spectra_filtered.mgf MASSBANK.mgf 0.74614 1541000.0 0 3.53641 8 0.000976562 276.144 1 temp/spectra_filtered.mgf242 1 Massbank:PR310825 N-Fructosyl isoleucine ESI qTof Isolated Massbank Massbank M-H2O+H 276.145 0.0 1 N/A N/A O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC 1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18) N/A 3 Positive MASSBANK 276.145 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H23NO7 VYGRYVGDPYFVCA-UHFFFAOYSA-N VYGRYVGDPYFVCA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00000219780 139 spectra_filtered.mgf MASSBANK.mgf 0.744145 1597000.0 0 3785.42 7 0.882004 232.118 1 temp/spectra_filtered.mgf139 1 Massbank:KO003629 Nalidixate|Nalidixic acid ESI LC-ESI-QQ Isolated Putative Massbank Match Massbank [M+H]+ 233.0 0.0 1 389-08-2 N/A CCN(C=1)c(n2)c(ccc(C)2)C(=O)C(C(O)=O)1 1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) N/A 3 Positive MASSBANK 233.0 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C12H12N2O3 MHWLWQUZZRMNGJ-UHFFFAOYSA-N MHWLWQUZZRMNGJ Organoheterocyclic compounds Diazanaphthalenes Naphthyridines Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00003139626 359 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.744045 1550200.0 0 1.33196 9 0.000305176 229.118 1 temp/spectra_filtered.mgf359 1 Spectral Match to PyroGlu-Val from NIST14 ESI Q-TOF Isolated Data from Joshua Wollam Data deposited by fevargas M+H 229.118 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 229.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00005435818 1153 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.742308 442300.0 0 3168.4 22 1.99988 629.195 1 temp/spectra_filtered.mgf1153 1 Contaminant vial septum ThermoFisher C5000-44B LC-ESI Orbitrap Commercial Dorrestein lfnothias M+NH4 631.195 0.0 0 3 Positive GNPS-LIBRARY 631.195 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010071160 1501 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.740373 493400.0 0 2167.85 16 1.97882 914.781 1 temp/spectra_filtered.mgf1501 1 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6 LC-ESI HCD; Velos Commercial Thomas Metz Thomas Metz M+NH4 912.802 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 912.802 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010118804 796 spectra_filtered.mgf BERKELEY-LAB.mgf 0.740342 868100.0 0 6894.67 9 1.9791 289.026 1 temp/spectra_filtered.mgf796 1 3-(3-chlorophenyl)-6-hydroxy-4-methylchromen-2-one CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 287.047 0.0 1 N/A N/A Cc1c(-c2cccc(Cl)c2)c(=O)oc2ccc(O)cc12 """InChI=1S/C16H11ClO3/c1-9-13-8-12(18)5-6-14(13)20-16(19)15(9)10-3-2-4-11(17)7-10/h2-8,18H,1H3""" N/A 3 Positive BERKELEY-LAB 287.047 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H11ClO3 AXTXAKVFCNXMHV-UHFFFAOYSA-N AXTXAKVFCNXMHV Phenylpropanoids and polyketides Isoflavonoids Hydroxyisoflavonoids Coumarins Simple coumarins Shikimates and Phenylpropanoids
CCMSLIB00000855926 821 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.740233 330700.0 0 0.194481 21 0.000183105 941.51 1 temp/spectra_filtered.mgf821 1 NCGC00385557-01_C48H76O18_ LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+H 941.51 940.503 1 n/a n/a C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 941.51 UPDATE-SINGLE-ANNOTATED-GOLD Gold C48H76O18 CROUPKILZUPLQA-SXXIBTJASA-N CROUPKILZUPLQA Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00010094224 1406 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.739763 416300.0 0 1.75906 8 0.00109863 624.556 1 temp/spectra_filtered.mgf1406 1 DG(17:1/18:1/0:0); [M+NH4]+ C38H74N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 624.557 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 624.557 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012258975 506 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.739275 762600.0 0 5420.53 6 1.9519 358.143 1 temp/spectra_filtered.mgf506 1 SCHEMBL649003 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 360.095 359.088 1 N/A N/A CN(C)CCCSCC(=O)C1(c2cc(Cl)c(Cl)cc2)CCC1 """InChI=1S/C17H23Cl2NOS/c1-20(2)9-4-10-22-12-16(21)17(7-3-8-17)13-5-6-14(18)15(19)11-13/h5-6,11H,3-4,7-10,12H2,1-2H3""" FDOYGLCMRDGPPR-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 360.095 UPDATE-SINGLE-ANNOTATED-GOLD Gold C17H23Cl2NOS FDOYGLCMRDGPPR-UHFFFAOYSA-N FDOYGLCMRDGPPR N/A N/A N/A
CCMSLIB00003137597 511 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.737513 23955000.0 0 0.0 8 0.0 243.134 1 temp/spectra_filtered.mgf511 1 Spectral Match to PyroGlu-Ile from NIST14 LC-ESI qTof Isolated Data from Dr. Katherine R. Duncan Data deposited by kduncan M+H 243.134 0.0 1 N/A N/A O=C(N[C@H](C(O)=O)[C@@H](C)CC)[C@H]1NC(CC1)=O InChI=1S/C11H18N2O4/c1-3-6(2)9(11(16)17)13-10(15)7-4-5-8(14)12-7/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 243.134 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O4 MKCVLTRITQNGQI-ZKWXMUAHSA-N MKCVLTRITQNGQI Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00005724615 21 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.735727 14958000.0 0 1042.59 6 0.224304 214.918 1 temp/spectra_filtered.mgf21 1 (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-dodecahydronaphtho[2,3-b]furan-2-one ESI Orbitrap Isolated Wolfender Luis Quiros-Guerrero M-H2O+H 215.142 232.146 1 N/A N/A C[C@](CCC1)(C[C@@H]([C@@H](C2)C3=C)OC3=O)[C@H]2C1=C InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m1/s1 N/A 1 Positive GNPS-LIBRARY 215.142 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H20O2 CVUANYCQTOGILD-XFMPKHEZSA-N CVUANYCQTOGILD Lipids and lipid-like molecules Prenol lipids Terpene lactones Sesquiterpenoids Eudesmane sesquiterpenoids Terpenoids
CCMSLIB00000854773 831 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.733469 502100.0 0 1.31182 21 0.0012207 930.543 1 temp/spectra_filtered.mgf831 1 NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+NH4 930.542 912.508 1 n/a n/a C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-14-47(20-48)25(43(28,4)5)11-13-46(8)26(47)10-9-22-23-17-42(2,3)18-27(50)44(23,6)15-16-45(22,46)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44+,45+,46+,47+/m0/s1 N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 930.542 UPDATE-SINGLE-ANNOTATED-GOLD Gold C47H76O17 NOKUIKNJHIHLGT-LMQYYACCSA-N NOKUIKNJHIHLGT Lipids and lipid-like molecules Prenol lipids Terpene glycosides Triterpenoids Oleanane triterpenoids Terpenoids
CCMSLIB00003138049 555 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.732225 1678600.0 0 5963.8 7 1.98129 330.239 1 temp/spectra_filtered.mgf555 1 Spectral Match to Thr-Val-Leu from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by rsilva M+H 332.22 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 332.22 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003136202 452 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.730496 474200.0 0 6508.96 7 1.9798 306.145 1 temp/spectra_filtered.mgf452 1 Spectral Match to Val-Trp from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 304.165 303.158 1 24587379 N/A CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 304.165 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C16H21N3O3 LZDNBBYBDGBADK-KBPBESRZSA-N LZDNBBYBDGBADK Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003136541 1259 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.730072 2255000.0 0 2.34514 12 0.000793457 338.342 1 temp/spectra_filtered.mgf1259 1 Spectral Match to 13-Docosenamide, (Z)- from NIST14 ESI QqQ Isolated Data from Rob Knight Data deposited by rsilva M+H 338.341 0.0 1 112845 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 338.341 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003138264 1412 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.729272 1359500.0 0 0.845482 11 0.000488281 577.518 1 temp/spectra_filtered.mgf1412 1 Spectral Match to 1-Palmitoyl-2-oleoyl-sn-glycerol from NIST14 ESI HCD Isolated Data from Jessica Metcalf Data deposited by mjmeehan M+H-H2O 577.518 0.0 1 29541660 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 577.518 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012247235 788 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.727485 378300.0 0 2665.78 6 1.1629 435.071 1 temp/spectra_filtered.mgf788 1 LY3200882 LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 436.234 435.227 1 N/A N/A CC(C)(O)c1nccc(Nc2nccc(Oc3cn(C4CC4)nc3C3CCOCC3)c2)c1 """InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)""" PNPFMWIDAKQFPY-UHFFFAOYSA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 436.234 UPDATE-SINGLE-ANNOTATED-GOLD Gold C24H29N5O3 PNPFMWIDAKQFPY-UHFFFAOYSA-N PNPFMWIDAKQFPY N/A N/A N/A Nicotinic acid alkaloids Pyridine alkaloids Alkaloids
CCMSLIB00003134713 590 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.722561 1586000.0 0 0.983838 6 0.000274658 279.17 1 temp/spectra_filtered.mgf590 1 Spectral Match to Phe-Leu from NIST14 ESI IT/ion trap Isolated Data from Rob Knight Data deposited by amelnik M+H 279.17 0.0 1 N/A N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 279.17 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137659 166 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.721734 3315300.0 0 160.608 6 0.0368042 229.118 1 temp/spectra_filtered.mgf166 1 Spectral Match to Leu-Pro from NIST14 ESI qTof Isolated Data from Gabriel Haddad Data deposited by mjmeehan M+H 229.155 228.147 1 N/A N/A CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 229.155 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H20N2O3 VTJUNIYRYIAIHF-IUCAKERBSA-N VTJUNIYRYIAIHF Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010116204 851 spectra_filtered.mgf BERKELEY-LAB.mgf 0.721619 143700.0 0 6321.51 10 1.97931 315.086 1 temp/spectra_filtered.mgf851 1 Cabreuvin CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 313.107 0.0 1 N/A N/A COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 """InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3""" N/A 3 Positive BERKELEY-LAB 313.107 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C18H16O5 UKWLNMIPRJLYGH-UHFFFAOYSA-N UKWLNMIPRJLYGH Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Isoflavonoids Isoflavones Shikimates and Phenylpropanoids
CCMSLIB00012249215 162 spectra_filtered.mgf CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.720925 1723400.0 0 2373.47 7 1.04721 440.168 1 temp/spectra_filtered.mgf162 1 CERONAPRIL LC-ESI Orbitrap Commercial Pieter C. Dorrestein Nina Haoqi Zhao [M+H]+ 441.215 440.208 1 N/A N/A NCCCCC(OP(=O)(O)CCCCc1ccccc1)C(=O)N1CCCC1C(=O)O """InChI=1S/C21H33N2O6P/c22-14-6-4-13-19(20(24)23-15-8-12-18(23)21(25)26)29-30(27,28)16-7-5-11-17-9-2-1-3-10-17/h1-3,9-10,18-19H,4-8,11-16,22H2,(H,25,26)(H,27,28)/t18-,19-/m0/s1""" IFYLTXNCFVRALQ-OALUTQOASA-N 1 Positive CMMC-REFRAME-POSITIVE-LIBRARY 441.215 UPDATE-SINGLE-ANNOTATED-GOLD Gold C21H33N2O6P IFYLTXNCFVRALQ-UHFFFAOYSA-N IFYLTXNCFVRALQ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00000219855 1287 spectra_filtered.mgf RESPECT.mgf 0.720418 1918300.0 0 683.726 7 0.488892 714.551 1 temp/spectra_filtered.mgf1287 1 ReSpect:PS112703 glucocerebrosides|Glucosyl (E,E)N(2-hydroxyhexadecanoyl)sphing-4,8-dienine ESI Flow-injection QqQ/MS Isolated Putative ReSpect Match ReSpect [M+H] 715.04 0.0 1 497155-61-0 N/A no data N/A N/A 3 Positive RESPECT 715.04 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00012176681 1300 spectra_filtered.mgf CMMC-LIBRARY.mgf 0.719921 9923000.0 0 1.2382 8 0.000488281 394.346 1 temp/spectra_filtered.mgf1300 1 Lithocholyl_Pyrrolidine_NCE45 ESI Orbitrap Dorrestein Ipsita Mohanty M-2H2O+H 394.347 429.361 1 O[C@@H]1CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])[C@@H](CCC(N5CCCC5)=O)C)C)[H])C InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1 N/A 1 Positive CMMC-LIBRARY 394.347 UPDATE-SINGLE-ANNOTATED-GOLD Gold C28H47NO2 GZUYSQKYZTZUHP-WQKHHYSQSA-N GZUYSQKYZTZUHP N/A N/A N/A Steroids Cholane steroids Terpenoids
CCMSLIB00010071158 1461 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.7181 498400.0 0 40.5206 10 0.0369873 912.765 1 temp/spectra_filtered.mgf1461 1 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 912.802 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 912.802 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00003137597 361 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.716172 715800.0 0 0.439311 8 0.000106812 243.134 1 temp/spectra_filtered.mgf361 1 Spectral Match to PyroGlu-Ile from NIST14 LC-ESI qTof Isolated Data from Dr. Katherine R. Duncan Data deposited by kduncan M+H 243.134 0.0 1 N/A N/A O=C(N[C@H](C(O)=O)[C@@H](C)CC)[C@H]1NC(CC1)=O InChI=1S/C11H18N2O4/c1-3-6(2)9(11(16)17)13-10(15)7-4-5-8(14)12-7/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7-,9-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 243.134 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H18N2O4 MKCVLTRITQNGQI-ZKWXMUAHSA-N MKCVLTRITQNGQI Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00003136757 399 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.715964 532000.0 0 4.23385 6 0.00119019 281.113 1 temp/spectra_filtered.mgf399 1 Spectral Match to .alpha.-L-Asp-L-Phe from NIST14 ESI QqQ Isolated Data from Chris Turck Data deposited by fevargas M+H 281.112 0.0 1 13433095 N/A N/A N/A N/A 3 Positive GNPS-NIST14-MATCHES 281.112 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010118641 872 spectra_filtered.mgf BERKELEY-LAB.mgf 0.715094 217100.0 0 5568.73 8 1.97849 357.263 1 temp/spectra_filtered.mgf872 1 2-octyltridecanedioic acid CollisionEnergy:205060 LC-ESI Orbitrap Commercial Trent Northen JGI M-H 355.285 0.0 1 N/A N/A CCCCCCCCC(CCCCCCCCCCC(=O)O)C(=O)O """InChI=1S/C21H40O4/c1-2-3-4-5-10-13-16-19(21(24)25)17-14-11-8-6-7-9-12-15-18-20(22)23/h19H,2-18H2,1H3,(H,22,23)(H,24,25)""" N/A 3 Negative BERKELEY-LAB 355.285 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C21H40O4 KGDFFRUWAGMXRB-UHFFFAOYSA-N KGDFFRUWAGMXRB Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Fatty Acids and Conjugates Branched fatty acids|Dicarboxylic acids Fatty acids
CCMSLIB00003137736 603 spectra_filtered.mgf GNPS-NIST14-MATCHES.mgf 0.713628 738100.0 0 3599.22 6 1.00479 280.174 1 temp/spectra_filtered.mgf603 1 Spectral Match to Leu-Phe from NIST14 ESI qTof Isolated Data from Suryasarathi Dasgupta Data deposited by fevargas M+H 279.169 278.163 1 N/A N/A CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1 N/A 3 Positive GNPS-NIST14-MATCHES 279.169 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C15H22N2O3 KFKWRHQBZQICHA-STQMWFEESA-N KFKWRHQBZQICHA Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00010010739 310 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.713343 6821800.0 0 4820.42 7 1.88141 392.181 1 temp/spectra_filtered.mgf310 1 Phe-C15:0 ESI qTof Crude Dorrestein Emily Gentry M+H 390.3 389.293 1 N/A N/A CCCCCCCCCCCCCCC(NC(C(O)=O)CC1=CC=CC=C1)=O InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(26)25-22(24(27)28)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,25,26)(H,27,28) N/A 2 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 390.3 UPDATE-SINGLE-ANNOTATED-SILVER Silver C24H39NO3 QASFXMACXNRCRO-UHFFFAOYSA-N QASFXMACXNRCRO Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids
CCMSLIB00006678154 1424 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.711236 434700.0 0 0.221341 11 0.00012207 551.503 1 temp/spectra_filtered.mgf1424 1 AEG(o-16:2/16:0) LC-ESI Orbitrap Other S Ding Su Ding M+H 551.503 551.503 1 N/A N/A N/A N/A N/A 3 Positive GNPS-LIBRARY 551.503 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00010110617 740 spectra_filtered.mgf BERKELEY-LAB.mgf 0.710616 403000.0 0 8527.1 7 1.97929 230.139 1 temp/spectra_filtered.mgf740 1 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:102040 LC-ESI Orbitrap Commercial Trent Northen JGI M+H 232.118 0.0 1 N/A N/A CCC(C)C(N=C(O)CCC(=O)O)C(=O)O """InChI=1S/C10H17NO5/c1-3-6(2)9(10(15)16)11-7(12)4-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)""" N/A 3 Positive BERKELEY-LAB 232.118 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C10H17NO5 LLXWDSPVRCKBPZ-UHFFFAOYSA-N LLXWDSPVRCKBPZ Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty Acids and Conjugates Dicarboxylic acids Fatty acids
CCMSLIB00000851143 826 spectra_filtered.mgf GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.710022 561400.0 0 1777.01 7 0.904816 508.273 1 temp/spectra_filtered.mgf826 1 NCGC00385405-01_C26H30O9_ LC-ESI Maxis II HD Q-TOF Bruker isolated Jadhav/Dorrestein lfnothias M+Na 509.178 486.189 1 n/a n/a CC/C=C/C=C/C1(C)O\C(=C(C(=O)C2C(C)C(=O)C3=CC(=C(O)C(=C3C2(C)O)O)OC)/C1=O)OC InChI=1S/C26H30O9/c1-7-8-9-10-11-25(3)23(31)16(24(34-6)35-25)21(29)17-13(2)19(27)14-12-15(33-5)20(28)22(30)18(14)26(17,4)32/h8-13,17,28,30,32H,7H2,1-6H3/b9-8+,11-10+ N/A 1 positive GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE 509.178 UPDATE-SINGLE-ANNOTATED-GOLD Gold C26H30O9 SSYUWECTPJGUGD-BNFZFUHLSA-N SSYUWECTPJGUGD N/A N/A N/A Cyclic polyketides Polyketides
CCMSLIB00005724022 327 spectra_filtered.mgf GNPS-LIBRARY.mgf 0.707075 355300.0 0 0.260703 8 9.15527e-05 351.176 1 temp/spectra_filtered.mgf327 1 N-deoxyfructosylacetyllysine_isomer2 LC-ESI qTof Isolated Alesia Walker Alesia Walker M+H 351.176 351.176 1 3 Positive GNPS-LIBRARY 351.176 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00011435955 333 spectra_filtered.mgf ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.704875 3568500.0 0 2389.9 7 0.849121 356.145 1 temp/spectra_filtered.mgf333 1 Ornithine-C15:1 ESI Orbitrap Commercial Dorrestein Ipsita M+H 355.296 354.288 1 N/A N/A O=C(NC(CCCN)C(O)=O)CCCCCCCCC=CCCCC InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)22-18(20(24)25)15-14-17-21/h5-6,18H,2-4,7-17,21H2,1H3,(H,22,23)(H,24,25) N/A 1 Positive ECG-ACYL-AMIDES-C4-C24-LIBRARY 355.296 UPDATE-SINGLE-ANNOTATED-GOLD Gold C20H38N2O3 OQVMWOVMJBJQEH-UHFFFAOYSA-N OQVMWOVMJBJQEH Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Fatty amides N-acyl amines Fatty acids
CCMSLIB00010093886 1450 spectra_filtered.mgf PNNL-LIPIDS-POSITIVE.mgf 0.704463 360800.0 0 0.762239 8 0.000488281 640.588 1 temp/spectra_filtered.mgf1450 1 DG(18:0/18:1/0:0); [M+NH4]+ C39H78N1O5 LC-ESI CID; Velos Commercial Thomas Metz Thomas Metz M+NH4 640.588 0.0 1 N/A N/A N/A N/A N/A 1 Positive PNNL-LIPIDS-POSITIVE 640.588 UPDATE-SINGLE-ANNOTATED-GOLD Gold N/A N/A N/A N/A N/A N/A N/A N/A N/A
CCMSLIB00006397487 372 spectra_filtered.mgf BMDMS-NP.mgf 0.703288 355200.0 0 4520.02 6 1.01741 226.107 1 temp/spectra_filtered.mgf372 1 3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 225.09 224.084 1 N/A N/A O=C(C=CC1=CC=C(O)C=C1)C=2C=CC=CC2 InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H N/A 1 Positive BMDMS-NP 225.09 UPDATE-SINGLE-ANNOTATED-GOLD Gold C15H12O2 PWWCDTYUYPOAIU-UHFFFAOYSA-N PWWCDTYUYPOAIU Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Flavonoids Chalcones Shikimates and Phenylpropanoids
CCMSLIB00000078429 448 spectra_filtered.mgf GNPS-SELLECKCHEM-FDA-PART2.mgf 0.703136 760800.0 0 3774.25 6 0.947998 252.123 1 temp/spectra_filtered.mgf448 1 Rivastigmine tartrate (Exelon) LC-ESI qTof Commercial Dorrestein Garg_Neha [M+H] 251.175 250.168 1 129101-54-8 N/A C1(=CC=CC(=C1)[C@@H](N(C)C)C)OC(N(C)CC)=O.OC([C@@H]([C@H](C(O)=O)O)O)=O InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1 N/A 1 Positive GNPS-SELLECKCHEM-FDA-PART2 251.175 UPDATE-SINGLE-ANNOTATED-GOLD Gold C18H28N2O8 GWHQHAUAXRMMOT-MBANBULQSA-N GWHQHAUAXRMMOT Benzenoids Benzene and substituted derivatives Phenoxy compounds
CCMSLIB00005747376 315 spectra_filtered.mgf MASSBANK.mgf 0.703096 645600.0 0 3774.12 7 0.985596 260.16 1 temp/spectra_filtered.mgf315 1 Massbank:PR311045 Glutamylleucine ESI qTof Isolated Massbank Massbank M+H 261.146 0.0 1 N/A N/A O=C(O)C(N)CCC(=O)NC(C(=O)O)CC(C)C 1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18) N/A 3 Positive MASSBANK 261.146 UPDATE-SINGLE-ANNOTATED-BRONZE Bronze C11H20N2O5 MYFMARDICOWMQP-UHFFFAOYSA-N MYFMARDICOWMQP Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Small peptides Dipeptides Amino acids and Peptides
CCMSLIB00006576870 58 spectra_filtered.mgf BMDMS-NP.mgf 0.702302 4184000.0 0 5797.56 6 1.15511 198.085 1 temp/spectra_filtered.mgf58 1 tetradecane ESI Orbitrap Commercial standard BMDMS-NP BMDMS-NP [M+H]+ 199.24 198.235 1 N/A N/A CCCCCCCCCCCCCC InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3 N/A 1 Positive BMDMS-NP 199.24 UPDATE-SINGLE-ANNOTATED-GOLD Gold C14H30 BGHCVCJVXZWKCC-UHFFFAOYSA-N BGHCVCJVXZWKCC Hydrocarbons Saturated hydrocarbons Alkanes Fatty acyls Hydrocarbons Fatty acids
nf_output/clustering/ 0000755 0000000 0000000 00000000000 14622715332 013763 5 ustar root root nf_output/clustering/spectra_filtered.mgf 0000644 0000000 0000000 00004735324 14622715332 020017 0 ustar root root BEGIN IONS
SCANS=1
PEPMASS=201.0083
CHARGE=1
COLLISION_ENERGY=0.0
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62.7568 2200.0
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72.9349 2200.0
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88.9683 6000.0
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96.9612 6800.0
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100.9326 9200.0
100.9682 11000.0
102.9477 8500.0
108.9583 4600.0
111.9844 3100.0
113.9637 390000.0
113.9743 3000.0
114.9714 18000.0
115.9793 7500.0
116.9633 23000.0
118.9426 28000.0
118.9789 4000.0
128.9508 45000.0
128.9569 4600.0
128.987 4400.0
128.9996 3700.0
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131.9742 60000.0
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146.9613 15000.0
154.99 7900.0
155.0028 120000.0
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156.9825 4000.0
158.974 3700.0
159.9691 350000.0
162.9688 12000.0
163.9767 9700.0
169.9779 3200.0
171.9692 4100.0
177.956 9800.0
177.9795 8200.0
182.9852 42000.0
185.9741 4600.0
185.9848 140000.0
185.9958 3200.0
186.993 12000.0
189.9797 2600.0
200.0005 22000.0
200.9719 7600.0
201.0081 9300.0
END IONS
BEGIN IONS
SCANS=2
PEPMASS=232.9801
CHARGE=1
COLLISION_ENERGY=0.0
52.2628 1400.0
56.9422 3800.0
67.0608 1100.0
68.2077 1400.0
70.9578 6000.0
72.9372 1500.0
77.0054 3600.0
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95.0159 1900.0
100.2024 1200.0
106.308 1400.0
114.9296 1400.0
130.9244 6200.0
132.9406 2200.0
138.7559 1500.0
138.7946 1200.0
148.9352 17000.0
150.9142 2100.0
150.9507 3200.0
166.9457 290000.0
168.925 19000.0
168.9496 1400.0
176.9307 15000.0
176.9411 4800.0
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184.9563 54000.0
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189.9615 5300.0
191.9429 1900.0
191.9535 18000.0
194.9172 3500.0
194.9406 480000.0
196.9449 2100.0
202.9671 3200.0
208.9564 4900.0
209.9537 3400.0
209.9641 120000.0
212.9512 130000.0
217.9431 3100.0
217.9566 57000.0
217.9668 800.0
223.9795 1400.0
227.9749 3400.0
232.9801 28000.0
234.972 8100.0
235.9671 5000.0
249.9951 3200.0
252.9807 1300.0
END IONS
BEGIN IONS
SCANS=3
PEPMASS=186.9563
CHARGE=1
COLLISION_ENERGY=0.0
44.4698 1300.0
46.0652 9400.0
48.7114 1200.0
54.3497 1300.0
55.0541 1900.0
55.9344 150000.0
55.9359 1700.0
56.9422 55000.0
57.9427 1500.0
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70.9578 1700.0
71.9293 13000.0
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74.9528 24000.0
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100.9567 5500.0
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108.9582 4900.0
113.9637 36000.0
114.9637 1800.0
114.9715 42000.0
114.9758 780.0
116.9518 3500.0
117.9355 2400.0
117.9593 3300.0
118.9426 41000.0
118.948 1300.0
118.9673 21000.0
119.9504 7800.0
119.9751 41000.0
123.9453 18000.0
125.9609 4900.0
128.9507 100000.0
130.9663 4200.0
131.9743 5200.0
134.9622 1300.0
135.9453 32000.0
136.953 11000.0
137.9859 1500.0
141.9586 20000.0
141.9829 3600.0
142.9611 3900.0
142.9912 5900.0
145.9297 9600.0
145.9545 10000.0
145.9661 3900.0
146.9613 34000.0
148.9769 2900.0
150.9569 1400.0
153.9557 13000.0
158.9612 1800.0
159.9691 9100.0
160.9712 2100.0
163.9402 280000.0
163.9646 35000.0
163.9743 1600.0
165.9324 1200.0
169.9774 2400.0
172.0059 1400.0
177.956 1500.0
181.9508 94000.0
182.319 1200.0
182.9855 1700.0
186.9562 75000.0
186.9803 3900.0
186.9917 2500.0
187.1262 18000.0
203.9715 9800.0
203.9958 1400.0
204.9665 6900.0
END IONS
BEGIN IONS
SCANS=4
PEPMASS=217.9567
CHARGE=1
COLLISION_ENERGY=0.0
49.4575 1200.0
54.1949 1200.0
60.8839 1100.0
61.8601 1000.0
65.3167 1100.0
69.1626 1000.0
70.9579 1700.0
80.0729 1100.0
88.9684 1500.0
98.6184 1200.0
110.4127 1100.0
111.5774 1200.0
138.076 1000.0
166.9365 1100.0
166.9457 64000.0
166.9547 2400.0
168.9253 3400.0
176.9299 3600.0
176.9718 4000.0
184.9563 28000.0
186.9352 3300.0
189.9617 2200.0
194.929 2000.0
194.9407 99000.0
194.9525 2700.0
202.9675 2200.0
207.8765 2000.0
208.014 3200.0
212.9513 30000.0
217.9566 76000.0
227.9651 2700.0
234.9727 1900.0
235.9672 6900.0
END IONS
BEGIN IONS
SCANS=5
PEPMASS=1628.2068
CHARGE=3
COLLISION_ENERGY=0.0
207.0899 1500.0
227.9261 2500.0
241.0702 2500.0
247.0804 2000.0
253.0713 3100.0
254.6225 1900.0
266.0141 1600.0
271.0811 16000.0
272.0853 2600.0
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290.0961 3700.0
307.1026 2700.0
325.1129 520000.0
326.1163 71000.0
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BEGIN IONS
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END IONS
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FEATURE_ID=1
PEPMASS=201.0083
SCANS=1
RTINSECONDS=0.193
CHARGE=1+
MSLEVEL=2
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186.9930 1.2E4
189.9797 2.6E3
200.0005 2.2E4
200.9719 7.6E3
201.0081 9.3E3
END IONS
BEGIN IONS
FEATURE_ID=2
PEPMASS=232.9801
SCANS=2
RTINSECONDS=0.193
CHARGE=1+
MSLEVEL=2
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56.9422 3.8E3
67.0608 1.1E3
68.2077 1.4E3
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77.0054 3.6E3
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END IONS
BEGIN IONS
FEATURE_ID=3
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SCANS=3
RTINSECONDS=1.435
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=4
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SCANS=4
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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
FEATURE_ID=7
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SCANS=7
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651.4491 7.1E3
END IONS
BEGIN IONS
FEATURE_ID=8
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568.2034 2.3E3
END IONS
BEGIN IONS
FEATURE_ID=9
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MSLEVEL=2
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756.3585 6.3E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=11
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SCANS=11
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MSLEVEL=2
201.0072 3.8E3
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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=17
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END IONS
BEGIN IONS
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1260.8989 8.9E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=21
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END 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=25
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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=28
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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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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=34
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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337.1707 1.2E4
END IONS
BEGIN IONS
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END 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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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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381.0703 1.4E5
382.0738 1.6E4
399.0812 7.9E4
441.0914 6.7E4
END IONS
BEGIN IONS
FEATURE_ID=48
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SCANS=48
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MSLEVEL=2
56.9648 3.5E5
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427.0755 2.8E6
427.1527 2.5E4
427.1803 1.9E4
END IONS
BEGIN IONS
FEATURE_ID=49
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SCANS=49
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CHARGE=1+
MSLEVEL=2
91.5486 1.1E4
94.3192 1.1E4
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851.4315 4.0E4
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852.2675 6.2E5
END IONS
BEGIN IONS
FEATURE_ID=50
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SCANS=50
RTINSECONDS=40.605
CHARGE=1+
MSLEVEL=2
112.5867 8.2E4
112.5923 5.0E5
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END IONS
BEGIN IONS
FEATURE_ID=51
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MSLEVEL=2
53.0385 1.4E4
55.0180 1.7E4
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306.1190 3.1E4
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342.1676 1.4E4
END IONS
BEGIN IONS
FEATURE_ID=52
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MSLEVEL=2
51.3125 1.6E3
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END IONS
BEGIN IONS
FEATURE_ID=53
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SCANS=53
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MSLEVEL=2
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528.1617 1.1E6
END IONS
BEGIN IONS
FEATURE_ID=54
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=55
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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
FEATURE_ID=60
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=59
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423.0638 6.7E5
END IONS
BEGIN IONS
FEATURE_ID=62
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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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723.1844 4.1E4
END IONS
BEGIN IONS
FEATURE_ID=65
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116.9263 5.0E3
117.5920 4.8E3
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END IONS
BEGIN IONS
FEATURE_ID=66
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365.1053 1.3E5
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528.1617 3.6E4
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END IONS
BEGIN IONS
FEATURE_ID=67
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RTINSECONDS=43.318
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MSLEVEL=2
129.7991 1.4E4
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689.2111 1.1E6
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END IONS
BEGIN IONS
FEATURE_ID=75
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MSLEVEL=2
65.8995 4.7E4
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234.0197 1.4E7
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END IONS
BEGIN IONS
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SCANS=68
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CHARGE=1+
MSLEVEL=2
40.8082 2.5E4
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160.0800 2.4E5
END IONS
BEGIN IONS
FEATURE_ID=69
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CHARGE=1+
MSLEVEL=2
55.0180 1.5E4
56.0494 1.7E5
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END IONS
BEGIN IONS
FEATURE_ID=70
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END IONS
BEGIN IONS
FEATURE_ID=71
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56.0495 6.4E5
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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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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=88
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=77
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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=80
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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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56.0494 1.5E5
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227.9585 4.8E4
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341.1130 3.1E4
341.1375 3.6E5
END IONS
BEGIN IONS
FEATURE_ID=92
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SCANS=92
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MSLEVEL=2
65.0726 8.8E4
65.2291 6.5E4
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253.9061 8.3E4
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413.1021 9.5E6
519.7194 6.8E4
545.8366 7.0E4
590.1181 6.9E4
END IONS
BEGIN IONS
FEATURE_ID=98
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SCANS=98
RTINSECONDS=45.284
CHARGE=1+
MSLEVEL=2
114.0914 7.8E4
134.9227 3.1E4
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463.3669 3.5E4
603.9681 3.7E4
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681.7141 4.5E4
753.1392 4.2E4
END IONS
BEGIN IONS
FEATURE_ID=86
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SCANS=86
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MSLEVEL=2
128.2035 5.8E3
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608.1583 3.2E5
609.1597 1.7E4
621.4778 5.0E3
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END IONS
BEGIN IONS
FEATURE_ID=89
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=90
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MSLEVEL=2
57.2123 2.5E3
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234.0073 2.2E3
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338.0658 3.4E3
END IONS
BEGIN IONS
FEATURE_ID=91
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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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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=102
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END IONS
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END IONS
BEGIN IONS
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53.4994 1.9E5
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END IONS
BEGIN IONS
FEATURE_ID=109
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MSLEVEL=2
62.8360 7.2E4
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552.8737 8.1E4
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END IONS
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FEATURE_ID=105
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100.0757 3.1E4
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586.1757 1.1E4
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634.6349 4.2E3
636.4251 4.4E3
END IONS
BEGIN IONS
FEATURE_ID=106
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MSLEVEL=2
50.2336 1.7E3
54.4252 2.3E3
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283.6126 2.2E3
311.1565 1.6E3
331.1185 4.5E4
350.7509 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=107
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SCANS=107
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CHARGE=1+
MSLEVEL=2
55.0541 1.3E4
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END IONS
BEGIN IONS
FEATURE_ID=108
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CHARGE=1+
MSLEVEL=2
60.0557 9.4E3
62.0085 3.8E3
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254.1604 6.7E3
286.4481 3.5E3
305.2120 3.9E3
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369.2242 2.2E4
END IONS
BEGIN IONS
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CHARGE=1+
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43.0179 1.8E5
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END IONS
BEGIN IONS
FEATURE_ID=114
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CHARGE=1+
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45.0336 1.3E6
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202.2632 2.7E5
END IONS
BEGIN IONS
FEATURE_ID=113
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CHARGE=1+
MSLEVEL=2
60.1792 2.4E3
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END IONS
BEGIN IONS
FEATURE_ID=115
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=117
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END IONS
BEGIN IONS
FEATURE_ID=118
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=120
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41.0746 1.3E4
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END IONS
BEGIN IONS
FEATURE_ID=121
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END IONS
BEGIN IONS
FEATURE_ID=122
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368.1489 9.3E3
END IONS
BEGIN IONS
FEATURE_ID=123
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END IONS
BEGIN IONS
FEATURE_ID=124
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END IONS
BEGIN IONS
FEATURE_ID=125
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622.1210 1.6E4
622.2552 1.3E5
END IONS
BEGIN IONS
FEATURE_ID=126
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53.2834 1.1E3
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263.1712 4.5E4
263.1888 2.4E3
END IONS
BEGIN IONS
FEATURE_ID=128
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SCANS=128
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CHARGE=1+
MSLEVEL=2
46.9814 2.2E3
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END IONS
BEGIN IONS
FEATURE_ID=129
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SCANS=129
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CHARGE=1+
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55.0542 5.7E5
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460.2033 1.2E5
END IONS
BEGIN IONS
FEATURE_ID=127
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END IONS
BEGIN IONS
FEATURE_ID=130
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55.0542 4.8E4
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END IONS
BEGIN IONS
FEATURE_ID=131
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END IONS
BEGIN IONS
FEATURE_ID=133
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MSLEVEL=2
51.3033 3.2E3
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END IONS
BEGIN IONS
FEATURE_ID=134
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=136
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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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END IONS
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231.1137 2.8E3
END IONS
BEGIN IONS
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MSLEVEL=2
55.7377 4.6E3
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336.8792 4.8E3
END IONS
BEGIN IONS
FEATURE_ID=143
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CHARGE=1+
MSLEVEL=2
55.0543 8.0E3
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END IONS
BEGIN IONS
FEATURE_ID=144
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SCANS=144
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51.4018 3.4E3
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END IONS
BEGIN IONS
FEATURE_ID=146
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END IONS
BEGIN IONS
FEATURE_ID=147
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END IONS
BEGIN IONS
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END 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=154
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END IONS
BEGIN IONS
FEATURE_ID=155
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=162
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440.1683 5.9E3
END IONS
BEGIN IONS
FEATURE_ID=164
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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=158
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=167
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END IONS
BEGIN IONS
FEATURE_ID=168
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END IONS
BEGIN IONS
FEATURE_ID=169
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END IONS
BEGIN IONS
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409.1800 7.8E3
END IONS
BEGIN IONS
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END 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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END 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=180
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END IONS
BEGIN IONS
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END 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=188
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END IONS
BEGIN IONS
FEATURE_ID=189
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END IONS
BEGIN IONS
FEATURE_ID=190
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=193
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END IONS
BEGIN IONS
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END IONS
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END IONS
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317.8656 1.1E4
END IONS
BEGIN IONS
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SCANS=198
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CHARGE=1+
MSLEVEL=2
43.0179 9.2E3
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END IONS
BEGIN IONS
FEATURE_ID=191
PEPMASS=182.0811
SCANS=191
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=199
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END IONS
BEGIN IONS
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END 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=202
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END IONS
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END IONS
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END IONS
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END 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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174.2524 3.4E3
END IONS
BEGIN IONS
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SCANS=218
RTINSECONDS=54.77
CHARGE=1+
MSLEVEL=2
50.8513 3.0E3
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END IONS
BEGIN IONS
FEATURE_ID=219
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SCANS=219
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CHARGE=1+
MSLEVEL=2
41.9986 1.7E3
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END IONS
BEGIN IONS
FEATURE_ID=220
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=225
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=227
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END IONS
BEGIN IONS
FEATURE_ID=228
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=232
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END IONS
BEGIN IONS
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231.9681 1.7E3
231.9899 6.3E3
END IONS
BEGIN IONS
FEATURE_ID=234
PEPMASS=195.0763
SCANS=234
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CHARGE=1+
MSLEVEL=2
55.0542 2.2E3
59.1455 1.1E3
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195.1315 5.2E3
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196.0798 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=235
PEPMASS=204.0866
SCANS=235
RTINSECONDS=69.5
CHARGE=1+
MSLEVEL=2
53.0387 2.0E3
55.0543 2.4E3
56.0495 1.9E4
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204.1226 6.8E3
END IONS
BEGIN IONS
FEATURE_ID=236
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SCANS=236
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CHARGE=1+
MSLEVEL=2
48.0213 1.3E3
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212.1281 1.8E4
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236.2807 1.4E3
END IONS
BEGIN IONS
FEATURE_ID=237
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CHARGE=1+
MSLEVEL=2
53.0386 1.1E4
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END IONS
BEGIN IONS
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SCANS=238
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MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=242
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END IONS
BEGIN IONS
FEATURE_ID=243
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=244
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END IONS
BEGIN IONS
FEATURE_ID=245
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MSLEVEL=2
43.0543 6.7E3
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END IONS
BEGIN IONS
FEATURE_ID=246
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END IONS
BEGIN IONS
FEATURE_ID=247
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END IONS
BEGIN IONS
FEATURE_ID=249
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165.0547 2.6E4
165.0630 2.3E3
165.0968 5.3E3
180.0168 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=250
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SCANS=250
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CHARGE=1+
MSLEVEL=2
52.4032 1.1E3
55.2877 1.1E3
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400.7776 1.2E3
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472.2868 7.3E3
END IONS
BEGIN IONS
FEATURE_ID=251
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CHARGE=1+
MSLEVEL=2
60.0445 8.7E3
60.3638 2.8E3
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213.1234 3.2E5
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END IONS
BEGIN IONS
FEATURE_ID=252
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277.1450 8.8E3
END IONS
BEGIN IONS
FEATURE_ID=253
PEPMASS=358.1706
SCANS=253
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MSLEVEL=2
53.0386 1.8E3
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381.0253 1.2E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=255
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=257
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END IONS
BEGIN IONS
FEATURE_ID=258
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=260
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END IONS
BEGIN IONS
FEATURE_ID=261
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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54.1130 2.9E3
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END IONS
BEGIN IONS
FEATURE_ID=265
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51.5218 1.3E3
54.0447 1.2E3
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453.2384 1.5E3
END IONS
BEGIN IONS
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247.1056 2.9E5
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261.1048 1.4E4
END IONS
BEGIN IONS
FEATURE_ID=267
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SCANS=267
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CHARGE=1+
MSLEVEL=2
40.0191 2.0E3
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END IONS
BEGIN IONS
FEATURE_ID=268
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SCANS=268
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CHARGE=1+
MSLEVEL=2
52.5217 1.5E3
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227.9670 3.1E3
END IONS
BEGIN IONS
FEATURE_ID=269
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SCANS=269
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MSLEVEL=2
51.7694 2.4E3
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END IONS
BEGIN IONS
FEATURE_ID=270
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SCANS=270
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MSLEVEL=2
53.0428 1.5E3
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END IONS
BEGIN IONS
FEATURE_ID=271
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END IONS
BEGIN IONS
FEATURE_ID=272
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END IONS
BEGIN IONS
FEATURE_ID=273
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END IONS
BEGIN IONS
FEATURE_ID=274
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END IONS
BEGIN IONS
FEATURE_ID=275
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END IONS
BEGIN IONS
FEATURE_ID=276
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END IONS
BEGIN IONS
FEATURE_ID=277
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=281
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377.2198 1.5E3
401.1624 1.8E3
419.0713 1.5E3
419.1659 3.3E5
420.1692 5.4E3
END IONS
BEGIN IONS
FEATURE_ID=282
PEPMASS=217.1546
SCANS=282
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CHARGE=1+
MSLEVEL=2
52.4587 2.5E4
53.0387 5.7E4
55.0542 1.7E6
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199.1442 4.9E4
217.1546 4.8E6
227.9658 5.7E4
END IONS
BEGIN IONS
FEATURE_ID=283
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RTINSECONDS=80.445
CHARGE=1+
MSLEVEL=2
49.0031 1.4E3
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218.1582 2.0E5
227.9682 3.5E3
END IONS
BEGIN IONS
FEATURE_ID=284
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SCANS=284
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CHARGE=1+
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50.3467 1.1E3
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227.9583 2.5E3
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254.5509 1.1E3
345.3908 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=285
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312.1919 1.5E5
313.0611 2.8E3
END IONS
BEGIN IONS
FEATURE_ID=288
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CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=290
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END IONS
BEGIN IONS
FEATURE_ID=291
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END IONS
BEGIN IONS
FEATURE_ID=292
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END IONS
BEGIN IONS
FEATURE_ID=293
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END IONS
BEGIN IONS
FEATURE_ID=294
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END IONS
BEGIN IONS
FEATURE_ID=296
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END IONS
BEGIN IONS
FEATURE_ID=295
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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=299
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END 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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453.1981 2.0E4
END IONS
BEGIN IONS
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475.1802 3.5E4
END IONS
BEGIN IONS
FEATURE_ID=312
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54.0338 1.3E4
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END IONS
BEGIN IONS
FEATURE_ID=313
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56.0495 2.1E5
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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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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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502.2136 2.1E4
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520.2247 2.1E5
520.5586 1.5E3
521.2270 5.6E3
END IONS
BEGIN IONS
FEATURE_ID=326
PEPMASS=158.0812
SCANS=326
RTINSECONDS=96.595
CHARGE=1+
MSLEVEL=2
41.0386 1.5E4
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180.6286 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=327
PEPMASS=351.1761
SCANS=327
RTINSECONDS=96.779
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MSLEVEL=2
51.9400 1.3E3
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351.1778 1.2E4
END IONS
BEGIN IONS
FEATURE_ID=328
PEPMASS=192.0643
SCANS=328
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CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=329
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END IONS
BEGIN IONS
FEATURE_ID=330
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END IONS
BEGIN IONS
FEATURE_ID=331
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=333
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MSLEVEL=2
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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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SCANS=335
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END IONS
BEGIN IONS
FEATURE_ID=336
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END IONS
BEGIN IONS
FEATURE_ID=338
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152.0868 6.2E3
152.1153 1.5E3
153.0740 8.6E3
155.9747 3.4E3
169.9904 2.1E3
END IONS
BEGIN IONS
FEATURE_ID=340
PEPMASS=201.1234
SCANS=340
RTINSECONDS=108.621
CHARGE=1+
MSLEVEL=2
47.0130 3.5E3
53.2086 3.2E3
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200.9722 1.3E4
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201.1233 1.3E6
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211.6990 3.7E3
END IONS
BEGIN IONS
FEATURE_ID=341
PEPMASS=185.0786
SCANS=341
RTINSECONDS=109.356
CHARGE=1+
MSLEVEL=2
48.6787 1.1E3
53.9392 1.7E3
56.9423 1.8E3
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185.0787 4.4E5
185.1148 4.7E3
185.1285 4.3E3
186.0821 2.5E3
202.0011 1.8E3
END IONS
BEGIN IONS
FEATURE_ID=342
PEPMASS=254.1502
SCANS=342
RTINSECONDS=109.356
CHARGE=1+
MSLEVEL=2
52.7535 1.2E3
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END IONS
BEGIN IONS
FEATURE_ID=343
PEPMASS=276.1322
SCANS=343
RTINSECONDS=109.356
CHARGE=1+
MSLEVEL=2
59.0558 1.2E3
63.7811 1.3E3
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END IONS
BEGIN IONS
FEATURE_ID=344
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=346
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END IONS
BEGIN IONS
FEATURE_ID=348
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END IONS
BEGIN IONS
FEATURE_ID=349
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END IONS
BEGIN IONS
FEATURE_ID=350
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=351
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END IONS
BEGIN IONS
FEATURE_ID=352
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END IONS
BEGIN IONS
FEATURE_ID=353
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55.0543 9.7E3
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229.1535 2.8E3
END IONS
BEGIN IONS
FEATURE_ID=354
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END IONS
BEGIN IONS
FEATURE_ID=355
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318.1127 2.4E3
318.1658 3.0E4
318.2175 5.0E3
END IONS
BEGIN IONS
FEATURE_ID=356
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SCANS=356
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CHARGE=1+
MSLEVEL=2
55.0543 3.9E3
55.2158 1.3E3
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271.1963 3.5E3
END IONS
BEGIN IONS
FEATURE_ID=358
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CHARGE=1+
MSLEVEL=2
69.0699 1.5E4
70.0287 1.3E5
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END IONS
BEGIN IONS
FEATURE_ID=359
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=360
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CHARGE=1+
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55.8690 1.3E3
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268.2648 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=361
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=362
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END IONS
BEGIN IONS
FEATURE_ID=363
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=366
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END IONS
BEGIN IONS
FEATURE_ID=368
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END IONS
BEGIN IONS
FEATURE_ID=369
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END IONS
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FEATURE_ID=370
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END IONS
BEGIN IONS
FEATURE_ID=372
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226.1266 4.3E5
226.1562 8.3E3
227.9701 3.0E3
END IONS
BEGIN IONS
FEATURE_ID=373
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SCANS=373
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CHARGE=1+
MSLEVEL=2
46.8010 1.2E3
48.7773 1.3E3
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END IONS
BEGIN IONS
FEATURE_ID=374
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CHARGE=1+
MSLEVEL=2
43.2667 1.1E3
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200.0000 2.1E3
200.9718 1.7E3
END IONS
BEGIN IONS
FEATURE_ID=375
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MSLEVEL=2
58.4699 1.2E3
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END IONS
BEGIN IONS
FEATURE_ID=376
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CHARGE=1+
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END IONS
BEGIN IONS
FEATURE_ID=377
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MSLEVEL=2
53.4259 1.1E3
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END IONS
BEGIN IONS
FEATURE_ID=378
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END IONS
BEGIN IONS
FEATURE_ID=379
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END IONS
BEGIN IONS
FEATURE_ID=380
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END IONS
BEGIN IONS
FEATURE_ID=381
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END IONS
BEGIN IONS
FEATURE_ID=382
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END IONS
BEGIN IONS
FEATURE_ID=383
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END IONS
BEGIN IONS
FEATURE_ID=384
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=386
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END IONS
BEGIN IONS
FEATURE_ID=387
PEPMASS=243.1338
SCANS=387
RTINSECONDS=145.022
CHARGE=1+
MSLEVEL=2
51.3199 1.2E3
56.0494 2.0E3
56.7705 1.1E3
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60.7841 1.2E3
66.9579 1.3E3
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69.7440 1.1E3
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77.8757 1.1E3
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86.0964 1.3E4
87.0998 3.4E3
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95.0491 1.7E3
96.0808 3.6E3
112.0755 1.8E3
113.9638 1.9E3
114.0913 2.6E3
119.7104 1.1E3
120.9923 1.3E3
121.0648 3.2E3
129.0658 1.6E3
137.1072 6.6E3
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148.8277 1.2E3
153.4957 1.1E3
165.0951 1.1E3
165.1022 5.0E4
165.1112 1.6E3
179.1180 1.5E3
183.1128 8.2E3
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198.1320 1.6E4
200.9701 1.5E3
207.1131 2.0E3
214.8893 1.4E3
225.1234 3.0E4
226.1269 3.4E4
227.9694 8.5E3
232.9008 1.3E3
243.0152 1.5E3
243.1339 3.8E5
243.1468 7.9E3
244.1365 1.4E3
END IONS
BEGIN IONS
FEATURE_ID=388
PEPMASS=226.0710
SCANS=388
RTINSECONDS=149.136
CHARGE=1+
MSLEVEL=2
50.4040 1.3E3
51.0484 1.6E3
52.9147 1.3E3
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57.2744 1.5E3
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98.0362 1.9E3
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106.0499 4.1E4
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121.0138 2.4E3
121.0284 1.1E6
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121.0456 2.5E3
122.0318 6.1E3
127.2081 1.3E3
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147.2556 1.7E3
162.0553 2.9E3
180.0654 9.4E3
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202.9730 1.9E3
208.0605 2.4E4
209.0447 2.9E3
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226.0711 1.5E5
226.1269 4.1E3
226.1550 7.8E3
227.0776 2.0E3
238.9173 1.7E3
END IONS
BEGIN IONS
FEATURE_ID=389
PEPMASS=409.1865
SCANS=389
RTINSECONDS=150.206
CHARGE=1+
MSLEVEL=2
52.8310 1.5E3
53.0659 1.5E3
55.8291 1.3E3
59.4011 1.4E3
60.7240 1.2E3
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130.0651 2.6E3
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142.0651 4.1E3
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146.0600 2.9E4
152.8607 1.5E3
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188.0618 2.5E3
188.0705 1.5E5
189.0742 1.4E3
205.0971 1.6E5
327.3236 1.3E3
END IONS
BEGIN IONS
FEATURE_ID=391
PEPMASS=159.0916
SCANS=391
RTINSECONDS=153.884
CHARGE=1+
MSLEVEL=2
44.7778 2.6E3
49.4569 3.3E3
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160.0951 8.0E3
169.9774 1.6E4
171.5197 2.8E3
175.9760 5.3E3
176.9720 3.8E4
END IONS
BEGIN IONS
FEATURE_ID=392
PEPMASS=261.1445
SCANS=392
RTINSECONDS=153.959
CHARGE=1+
MSLEVEL=2
56.0496 8.7E3
61.6412 1.5E3
65.0438 1.1E3
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69.0699 1.9E3
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244.1184 3.1E4
244.1343 2.0E3
261.1246 3.5E4
261.1449 1.3E5
262.1484 1.5E3
END IONS
BEGIN IONS
FEATURE_ID=393
PEPMASS=170.0600
SCANS=393
RTINSECONDS=156.187
CHARGE=1+
MSLEVEL=2
41.0386 1.7E3
42.0340 2.0E3
45.0126 1.2E3
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171.0633 2.6E3
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171.1492 2.1E3
186.9929 3.2E3
END IONS
BEGIN IONS
FEATURE_ID=396
PEPMASS=244.1179
SCANS=396
RTINSECONDS=162.325
CHARGE=1+
MSLEVEL=2
50.4459 1.1E3
55.0178 3.0E3
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56.0131 3.1E3
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243.4890 1.1E3
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261.3503 1.1E3
END IONS
BEGIN IONS
FEATURE_ID=397
PEPMASS=237.1234
SCANS=397
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CHARGE=1+
MSLEVEL=2
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61.4057 1.1E3
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253.9531 3.6E3
END IONS
BEGIN IONS
FEATURE_ID=398
PEPMASS=276.1343
SCANS=398
RTINSECONDS=165.573
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MSLEVEL=2
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259.1435 1.8E3
260.1107 3.6E3
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276.1342 4.6E4
END IONS
BEGIN IONS
FEATURE_ID=399
PEPMASS=281.1132
SCANS=399
RTINSECONDS=165.753
CHARGE=1+
MSLEVEL=2
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74.0211 2.1E3
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79.0541 2.4E3
87.0551 1.6E3
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235.1077 1.1E5
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281.1459 2.5E3
END IONS
BEGIN IONS
FEATURE_ID=400
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MSLEVEL=2
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171.1390 2.6E3
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179.5568 2.3E3
END IONS
BEGIN IONS
FEATURE_ID=401
PEPMASS=217.1547
SCANS=401
RTINSECONDS=184.942
CHARGE=1+
MSLEVEL=2
55.0528 8.0E2
55.0542 8.2E4
56.0496 1.1E3
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217.9565 3.4E3
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237.9193 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=402
PEPMASS=546.2762
SCANS=402
RTINSECONDS=192.747
CHARGE=1+
MSLEVEL=2
59.9597 1.1E3
60.6978 1.4E3
68.1832 1.1E3
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84.0443 1.3E4
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528.2667 4.0E3
546.2764 3.3E4
END IONS
BEGIN IONS
FEATURE_ID=403
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MSLEVEL=2
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56.9648 4.8E3
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356.4079 1.3E3
END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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329.0796 6.3E3
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338.1028 7.1E3
338.1689 5.7E3
355.0953 2.6E4
END IONS
BEGIN IONS
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SCANS=418
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43.2704 1.1E3
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169.1335 1.5E5
169.9770 2.8E3
170.0599 1.3E3
170.0964 1.3E4
186.9928 1.4E3
END IONS
BEGIN IONS
FEATURE_ID=419
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SCANS=419
RTINSECONDS=213.279
CHARGE=1+
MSLEVEL=2
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179.1179 1.8E3
END IONS
BEGIN IONS
FEATURE_ID=420
PEPMASS=168.0730
SCANS=420
RTINSECONDS=213.279
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MSLEVEL=2
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281.5359 2.0E3
END IONS
BEGIN IONS
FEATURE_ID=421
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RTINSECONDS=213.279
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END IONS
BEGIN IONS
FEATURE_ID=422
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END IONS
BEGIN IONS
FEATURE_ID=423
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END IONS
BEGIN IONS
FEATURE_ID=424
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END IONS
BEGIN IONS
FEATURE_ID=426
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=431
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END IONS
BEGIN IONS
FEATURE_ID=433
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450.2440 4.8E4
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56.0495 3.9E3
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391.1582 1.2E4
END IONS
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59.9890 1.1E3
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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FEATURE_ID=445
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END IONS
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229.0547 1.4E3
252.0882 1.7E3
252.1229 2.2E5
252.2073 2.2E3
253.1274 2.8E3
END IONS
BEGIN IONS
FEATURE_ID=449
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50.5721 9.0E3
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419.1238 1.8E5
437.1343 8.2E4
455.1454 2.1E5
456.1487 3.3E3
END IONS
BEGIN IONS
FEATURE_ID=450
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CHARGE=1+
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51.3448 1.1E3
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256.1481 2.6E3
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272.1606 1.6E3
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END IONS
BEGIN IONS
FEATURE_ID=451
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END IONS
BEGIN IONS
FEATURE_ID=452
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END IONS
BEGIN IONS
FEATURE_ID=453
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=455
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END IONS
BEGIN IONS
FEATURE_ID=456
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END IONS
BEGIN IONS
FEATURE_ID=457
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84.0444 2.1E3
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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=461
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=463
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55.0542 6.2E3
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242.1830 3.9E3
242.6655 1.4E4
243.1532 2.8E3
253.1658 1.1E4
256.1768 7.8E3
END IONS
BEGIN IONS
FEATURE_ID=464
PEPMASS=519.1263
SCANS=464
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CHARGE=1+
MSLEVEL=2
61.3431 6.7E3
67.7653 1.0E4
80.2052 7.4E3
81.7155 6.6E3
112.5960 8.4E3
142.1850 7.1E3
201.3906 6.7E3
208.3034 7.0E3
217.5632 7.1E3
271.0580 4.5E6
271.0968 2.6E4
272.0613 6.2E4
279.3858 7.6E3
519.1266 1.2E5
END IONS
BEGIN IONS
FEATURE_ID=467
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SCANS=467
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CHARGE=1+
MSLEVEL=2
51.5165 1.2E3
52.6759 1.3E3
54.3285 1.2E3
55.0542 1.5E4
55.9343 1.2E3
61.0105 1.5E3
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80.8460 1.5E3
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279.0043 2.6E3
284.1968 4.5E3
302.1131 3.2E3
302.1499 2.2E3
302.2075 4.4E4
END IONS
BEGIN IONS
FEATURE_ID=468
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SCANS=468
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CHARGE=1+
MSLEVEL=2
41.0387 1.2E4
43.0543 2.0E4
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160.1332 6.2E5
161.1365 6.7E3
177.9798 3.8E3
END IONS
BEGIN IONS
FEATURE_ID=470
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CHARGE=1+
MSLEVEL=2
42.0339 4.3E3
42.4333 1.9E3
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185.1955 2.1E3
203.9397 2.3E3
END IONS
BEGIN IONS
FEATURE_ID=471
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CHARGE=1+
MSLEVEL=2
52.5398 1.1E3
56.0500 1.1E3
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END IONS
BEGIN IONS
FEATURE_ID=472
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CHARGE=1+
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320.0253 1.3E3
END IONS
BEGIN IONS
FEATURE_ID=473
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END IONS
BEGIN IONS
FEATURE_ID=475
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END IONS
BEGIN IONS
FEATURE_ID=476
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END IONS
BEGIN IONS
FEATURE_ID=474
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END IONS
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FEATURE_ID=477
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END IONS
BEGIN IONS
FEATURE_ID=478
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END IONS
BEGIN IONS
FEATURE_ID=479
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END IONS
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FEATURE_ID=480
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63.3052 1.2E3
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END IONS
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531.2489 4.9E3
END IONS
BEGIN IONS
FEATURE_ID=482
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MSLEVEL=2
70.0652 1.4E4
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END IONS
BEGIN IONS
FEATURE_ID=483
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MSLEVEL=2
54.1607 1.4E3
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302.2072 2.5E3
END IONS
BEGIN IONS
FEATURE_ID=493
PEPMASS=411.2602
SCANS=493
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CHARGE=1+
MSLEVEL=2
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411.2601 2.9E5
412.2633 2.6E3
END IONS
BEGIN IONS
FEATURE_ID=494
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MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=498
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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=504
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=506
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BEGIN IONS
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BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END 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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337.7254 1.1E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=518
PEPMASS=197.1284
SCANS=518
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205.5835 1.7E3
END IONS
BEGIN IONS
FEATURE_ID=519
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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=521
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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=526
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END IONS
BEGIN IONS
FEATURE_ID=528
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=530
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330.2024 1.9E5
330.6059 6.1E3
331.2053 3.2E3
END IONS
BEGIN IONS
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MSLEVEL=2
61.0668 1.1E3
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278.1570 2.2E3
END IONS
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MSLEVEL=2
55.0542 2.2E4
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413.2764 5.3E4
END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=537
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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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FEATURE_ID=546
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END IONS
BEGIN IONS
FEATURE_ID=547
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END IONS
BEGIN IONS
FEATURE_ID=548
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END IONS
BEGIN IONS
FEATURE_ID=549
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439.1199 1.7E3
END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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82.3612 6.9E3
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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404.0420 1.5E4
416.0767 1.5E4
END IONS
BEGIN IONS
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MSLEVEL=2
49.2308 1.2E3
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218.1619 2.6E3
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END IONS
BEGIN IONS
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CHARGE=1+
MSLEVEL=2
50.1576 1.2E3
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328.9543 1.3E3
END IONS
BEGIN IONS
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MSLEVEL=2
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437.1869 2.0E4
END IONS
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MSLEVEL=2
57.0725 1.3E3
58.0652 1.5E3
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END 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
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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46.0241 2.1E3
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END IONS
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FEATURE_ID=590
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52.2315 2.7E3
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279.6847 4.8E3
END IONS
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610.2463 2.5E4
END 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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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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627.0398 2.3E3
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END 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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END IONS
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295.1366 2.8E3
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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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=667
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END IONS
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232.0688 3.9E4
240.0949 1.1E4
263.0917 2.2E6
264.0966 1.2E4
END IONS
BEGIN IONS
FEATURE_ID=670
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SCANS=670
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CHARGE=1+
MSLEVEL=2
64.9594 2.2E3
91.0542 7.0E3
128.0621 2.3E3
129.0701 3.3E3
134.5719 2.1E3
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187.0392 6.2E3
187.0756 3.9E4
213.0559 2.5E3
231.0655 4.3E5
232.0697 4.6E3
END IONS
BEGIN IONS
FEATURE_ID=671
PEPMASS=547.1578
SCANS=671
RTINSECONDS=321.507
CHARGE=1+
MSLEVEL=2
60.6634 9.5E3
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71.2694 1.2E4
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82.7606 1.0E4
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92.2438 9.2E3
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109.5341 1.1E4
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286.0775 6.7E4
337.1154 9.6E3
470.4977 1.2E4
521.6559 1.0E4
547.1584 2.0E5
END IONS
BEGIN IONS
FEATURE_ID=672
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SCANS=672
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CHARGE=1+
MSLEVEL=2
67.3636 2.7E4
67.3661 2.1E5
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516.8292 9.6E3
588.2767 2.6E4
606.2879 4.6E6
607.2903 7.5E4
END IONS
BEGIN IONS
FEATURE_ID=673
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SCANS=673
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CHARGE=1+
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68.0495 2.3E3
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629.2716 2.3E4
END IONS
BEGIN IONS
FEATURE_ID=674
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SCANS=674
RTINSECONDS=321.791
CHARGE=1+
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END IONS
BEGIN IONS
FEATURE_ID=676
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END IONS
BEGIN IONS
FEATURE_ID=677
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END IONS
BEGIN IONS
FEATURE_ID=678
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END IONS
BEGIN IONS
FEATURE_ID=679
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END IONS
BEGIN IONS
FEATURE_ID=675
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END IONS
BEGIN IONS
FEATURE_ID=680
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376.6365 4.1E3
END IONS
BEGIN IONS
FEATURE_ID=681
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END IONS
BEGIN IONS
FEATURE_ID=682
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=684
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=686
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END IONS
BEGIN IONS
FEATURE_ID=687
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END IONS
BEGIN IONS
FEATURE_ID=688
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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=691
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SCANS=691
RTINSECONDS=325.066
CHARGE=1+
MSLEVEL=2
50.6119 1.1E3
55.0178 3.2E3
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61.6851 1.1E3
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68.3650 1.1E3
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73.0652 1.2E3
81.0334 2.6E3
91.0542 2.1E4
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99.1276 1.4E3
102.8854 1.3E3
105.0332 1.5E3
115.0542 1.9E3
116.3926 1.3E3
119.0488 2.5E3
121.0287 1.4E3
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129.0699 3.1E3
131.0490 2.4E3
131.0854 1.5E3
132.5696 1.2E3
137.0232 2.1E4
143.0844 1.3E3
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152.0621 6.4E3
153.0698 1.1E4
157.0649 2.5E3
169.8225 1.3E3
171.0802 1.7E3
173.5488 1.4E3
181.0648 1.4E4
184.0520 2.9E3
197.0599 1.8E3
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199.0755 1.3E4
207.0894 1.3E3
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227.0700 3.2E3
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237.0550 2.4E3
255.0296 4.5E3
255.0651 5.9E5
255.1001 3.7E3
256.0682 2.3E3
END IONS
BEGIN IONS
FEATURE_ID=694
PEPMASS=1017.3250
SCANS=694
RTINSECONDS=327.86
CHARGE=1+
MSLEVEL=2
114.7484 1.3E3
210.1932 1.3E3
213.6981 1.5E3
226.1662 1.3E3
227.7814 3.9E4
229.4880 1.6E3
245.0784 2.2E3
302.9824 1.5E3
467.1486 1.5E3
488.1321 3.9E3
520.1577 6.5E5
520.2589 4.5E3
521.1612 2.1E4
609.2463 3.3E3
650.7025 1.5E3
828.0154 1.4E3
985.2109 2.7E3
1017.2160 8.9E3
END IONS
BEGIN IONS
FEATURE_ID=695
PEPMASS=1122.4084
SCANS=695
RTINSECONDS=327.86
CHARGE=1+
MSLEVEL=2
124.3454 2.5E3
144.6184 2.6E3
149.7686 2.7E3
157.8854 2.7E3
160.9319 2.5E3
161.1332 2.5E3
183.8417 2.5E3
227.7778 3.7E4
227.7932 5.6E3
250.7038 3.8E3
297.1237 3.5E3
371.1382 4.5E3
373.1178 4.6E3
433.1356 4.1E3
545.1891 3.2E3
549.2236 3.3E3
564.2043 3.0E3
577.2187 1.9E4
609.2440 7.0E5
610.1888 5.0E3
610.2460 3.2E4
END IONS
BEGIN IONS
FEATURE_ID=696
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SCANS=696
RTINSECONDS=328.732
CHARGE=1+
MSLEVEL=2
53.4116 1.8E3
54.4734 1.8E3
55.2409 1.2E4
69.0990 1.6E3
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101.1278 1.6E3
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227.7754 1.6E4
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244.0603 1.3E4
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273.0735 2.1E3
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305.0627 2.9E3
315.0848 3.0E3
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345.0948 2.8E3
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377.1221 2.2E3
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388.1180 6.5E3
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390.0952 4.5E3
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401.0848 6.6E3
402.0985 6.0E3
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449.1220 3.0E3
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465.1807 3.1E3
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480.1636 2.5E3
496.1584 3.0E3
497.1633 2.7E5
497.3167 2.0E3
498.1758 2.9E4
END IONS
BEGIN IONS
FEATURE_ID=697
PEPMASS=995.3432
SCANS=697
RTINSECONDS=328.732
CHARGE=1+
MSLEVEL=2
112.9982 4.9E3
115.0544 9.4E3
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149.5004 5.2E3
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227.7915 5.2E4
241.7045 5.5E3
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276.0864 5.0E4
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304.0948 8.1E3
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384.0879 2.4E4
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389.1261 2.2E4
390.1335 6.1E3
402.0973 2.3E4
404.1497 8.8E3
406.1290 8.8E3
416.1125 7.3E4
434.1234 1.6E5
436.1752 8.4E3
448.1398 8.2E4
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480.1649 2.2E4
496.1606 5.7E3
498.1756 5.2E5
499.1786 1.2E4
772.3484 6.4E3
END IONS
BEGIN IONS
FEATURE_ID=698
PEPMASS=1012.3713
SCANS=698
RTINSECONDS=328.732
CHARGE=1+
MSLEVEL=2
109.6589 1.3E3
116.3632 1.2E3
122.0484 1.3E3
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133.9238 1.3E3
150.2960 1.2E3
191.0694 1.5E3
227.7749 1.3E4
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247.5627 1.2E3
276.0869 2.6E3
390.2300 1.2E3
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434.1235 1.1E4
448.1387 5.6E3
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480.1640 2.4E3
498.1757 3.4E4
562.2234 1.3E3
719.8668 1.3E3
768.8867 1.6E3
883.7156 1.5E3
END IONS
BEGIN IONS
FEATURE_ID=699
PEPMASS=1106.4128
SCANS=699
RTINSECONDS=328.732
CHARGE=1+
MSLEVEL=2
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144.8711 2.7E4
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577.2181 1.2E5
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609.2441 4.6E6
610.2459 1.1E5
735.9299 2.6E4
END IONS
BEGIN IONS
FEATURE_ID=700
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152.3139 2.1E3
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609.3437 5.2E3
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832.4005 2.0E3
940.6260 2.3E3
END IONS
BEGIN IONS
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496.1598 2.1E5
497.1651 2.6E3
END IONS
BEGIN IONS
FEATURE_ID=702
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=703
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467.1545 2.1E4
END IONS
BEGIN IONS
FEATURE_ID=704
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498.1397 2.2E4
498.1757 1.2E6
END IONS
BEGIN IONS
FEATURE_ID=705
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MSLEVEL=2
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477.3688 1.9E3
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520.1574 1.0E6
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520.2592 7.6E3
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529.0584 2.0E3
END IONS
BEGIN IONS
FEATURE_ID=706
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72.4442 1.3E3
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78.1407 1.2E3
79.2958 1.1E3
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276.0870 1.6E3
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384.0882 1.6E3
416.1144 1.6E3
433.1099 1.6E3
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437.1468 1.3E3
447.1266 1.4E3
448.1392 2.7E3
465.1367 5.6E3
466.1499 1.3E4
483.1505 1.4E4
485.1048 1.7E3
498.1759 1.3E4
END IONS
BEGIN IONS
FEATURE_ID=708
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MSLEVEL=2
55.4647 1.4E3
69.6799 1.3E3
84.0171 1.2E3
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103.0544 1.3E3
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386.0996 1.4E3
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434.1223 3.0E3
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466.1506 1.7E3
467.1099 2.3E3
467.1524 4.5E4
481.1686 4.2E3
499.1786 3.1E4
END IONS
BEGIN IONS
FEATURE_ID=709
PEPMASS=634.1478
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CHARGE=1+
MSLEVEL=2
82.2216 1.3E3
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126.9599 1.1E3
163.1167 1.2E3
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593.1218 4.3E4
610.1373 1.3E3
611.1325 2.3E4
634.1477 9.8E3
651.1640 3.2E3
END IONS
BEGIN IONS
FEATURE_ID=710
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SCANS=710
RTINSECONDS=331.761
CHARGE=1+
MSLEVEL=2
50.0578 1.2E3
51.5842 1.2E3
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213.1242 5.2E3
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END IONS
BEGIN IONS
FEATURE_ID=711
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SCANS=711
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CHARGE=1+
MSLEVEL=2
61.2472 3.3E3
61.2494 2.4E4
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END IONS
BEGIN IONS
FEATURE_ID=713
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SCANS=713
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CHARGE=1+
MSLEVEL=2
79.4321 1.6E3
79.9240 7.8E3
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557.2767 5.0E3
719.1702 7.9E3
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719.3365 1.2E6
719.4700 6.2E3
719.5022 8.5E3
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720.3400 6.8E4
END IONS
BEGIN IONS
FEATURE_ID=714
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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
FEATURE_ID=721
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SCANS=721
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CHARGE=1+
MSLEVEL=2
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END IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=724
PEPMASS=625.2395
SCANS=724
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CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=726
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MSLEVEL=2
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515.1536 5.4E3
END IONS
BEGIN IONS
FEATURE_ID=727
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MSLEVEL=2
64.5804 7.5E3
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70.0651 7.2E3
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END IONS
BEGIN IONS
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END IONS
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FEATURE_ID=731
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419.2727 1.3E3
425.0837 1.9E4
425.2112 3.1E3
425.2395 1.5E5
END IONS
BEGIN IONS
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SCANS=732
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CHARGE=1+
MSLEVEL=2
62.8026 6.1E3
64.8014 8.5E3
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158.0601 2.5E3
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198.0553 5.1E3
214.0497 2.7E3
224.0333 2.9E3
227.0224 2.6E3
227.7719 1.2E4
227.7879 2.3E4
242.0453 3.9E3
256.0616 4.2E3
286.0854 3.0E3
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314.0807 3.7E3
315.0889 2.9E3
326.0829 2.6E3
332.0920 2.6E3
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370.1004 2.1E3
386.1009 2.4E3
414.0958 1.0E4
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446.1237 8.0E3
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464.1338 3.5E4
473.1713 6.7E3
486.1412 5.7E3
487.1864 7.1E3
501.1646 1.8E4
505.1984 1.3E4
515.1802 3.3E3
518.1692 4.3E3
521.1919 7.6E3
533.1921 4.5E4
547.2068 3.2E3
551.2018 3.1E4
565.2178 1.4E5
565.8647 2.0E3
566.2188 2.5E3
583.0720 2.4E3
583.2283 1.4E6
584.2321 2.1E4
END IONS
BEGIN IONS
FEATURE_ID=733
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SCANS=733
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CHARGE=1+
MSLEVEL=2
56.0494 8.0E3
60.2653 1.3E3
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197.1377 2.2E3
225.1233 3.5E4
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274.2983 1.3E3
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356.1219 6.8E3
356.1865 2.1E3
356.2179 2.1E4
356.6179 2.3E3
END IONS
BEGIN IONS
FEATURE_ID=734
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MSLEVEL=2
52.7749 1.2E3
55.0542 1.3E4
57.0573 1.2E3
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142.3505 1.2E3
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216.4129 1.2E3
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227.7840 1.9E4
240.4109 1.2E3
259.2018 3.2E3
270.1815 1.5E4
285.8246 1.3E3
316.2235 2.6E4
336.5828 1.5E3
END IONS
BEGIN IONS
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65.6931 5.8E3
67.0542 3.5E3
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624.2629 7.8E4
END IONS
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MSLEVEL=2
66.3346 1.2E3
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545.1848 1.4E3
560.2101 5.4E3
564.2401 4.2E3
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623.2592 3.8E3
624.2629 4.6E5
625.2373 6.1E4
END IONS
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MSLEVEL=2
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55.0543 1.6E4
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END IONS
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END IONS
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END IONS
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END IONS
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66.7575 5.4E3
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159.6224 4.3E3
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267.0266 1.7E6
267.0639 9.6E3
268.0300 1.8E4
END IONS
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262.1549 1.7E3
END IONS
BEGIN IONS
FEATURE_ID=750
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43.0180 2.1E5
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END IONS
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41.4082 1.1E3
44.0180 1.3E3
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66.1815 1.3E3
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92.0494 9.0E3
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END IONS
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FEATURE_ID=752
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45.1838 4.2E3
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55.0164 3.3E3
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61.4305 4.2E3
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73.0284 2.8E4
77.0386 2.2E4
77.5030 5.1E3
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92.0494 1.8E4
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176.0705 1.2E6
177.0737 7.9E3
191.4046 4.7E3
194.0811 4.1E5
194.1174 6.8E4
211.1096 4.4E3
END IONS
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FEATURE_ID=753
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MSLEVEL=2
51.2526 1.3E3
52.0189 4.4E3
54.8267 1.2E3
66.7948 1.2E3
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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=758
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=761
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END IONS
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END IONS
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END IONS
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END IONS
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73.9530 1.7E3
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END 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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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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381.0671 5.4E3
381.0795 3.9E3
381.1310 6.8E5
381.1835 9.8E3
382.1346 9.3E3
END IONS
BEGIN IONS
FEATURE_ID=815
PEPMASS=397.1048
SCANS=815
RTINSECONDS=472.966
CHARGE=1+
MSLEVEL=2
55.4845 1.3E3
55.5679 1.1E3
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112.2951 1.2E3
127.9614 1.1E3
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250.9020 1.2E3
359.2649 1.2E3
396.3253 3.0E3
397.1050 1.9E5
397.3289 1.4E3
398.1088 3.8E3
END IONS
BEGIN IONS
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SCANS=816
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CHARGE=1+
MSLEVEL=2
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55.0542 5.8E3
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512.2006 1.3E4
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513.3026 1.7E4
END IONS
BEGIN IONS
FEATURE_ID=817
PEPMASS=534.2821
SCANS=817
RTINSECONDS=474.28
CHARGE=1+
MSLEVEL=2
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436.2979 1.2E3
524.5002 1.3E3
534.1741 4.8E3
534.2820 7.9E5
535.2868 1.3E4
END IONS
BEGIN IONS
FEATURE_ID=818
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SCANS=818
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CHARGE=1+
MSLEVEL=2
54.3680 1.1E3
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241.1046 4.8E5
241.1369 3.3E3
242.1076 5.1E3
END IONS
BEGIN IONS
FEATURE_ID=819
PEPMASS=398.3419
SCANS=819
RTINSECONDS=481.776
CHARGE=1+
MSLEVEL=2
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382.3111 3.2E4
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END IONS
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SCANS=820
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MSLEVEL=2
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END 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=823
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RTINSECONDS=491.77
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MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=825
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END IONS
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67.0545 6.0E3
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END IONS
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END IONS
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END IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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MSLEVEL=2
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END IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=840
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SCANS=840
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=841
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=847
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END IONS
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END IONS
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END IONS
BEGIN IONS
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62.7948 4.4E3
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END IONS
BEGIN IONS
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END 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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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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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=879
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END IONS
BEGIN IONS
FEATURE_ID=880
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=882
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END IONS
BEGIN IONS
FEATURE_ID=883
PEPMASS=1193.7175
SCANS=883
RTINSECONDS=569.319
CHARGE=1+
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END IONS
BEGIN IONS
FEATURE_ID=884
PEPMASS=1196.7275
SCANS=884
RTINSECONDS=569.319
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=885
PEPMASS=590.3540
SCANS=885
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END IONS
BEGIN IONS
FEATURE_ID=886
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SCANS=886
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END IONS
BEGIN IONS
FEATURE_ID=887
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SCANS=887
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END IONS
BEGIN IONS
FEATURE_ID=888
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END IONS
BEGIN IONS
FEATURE_ID=889
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BEGIN IONS
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END 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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END IONS
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1048.6073 2.2E4
1049.6022 1.2E4
1066.6162 8.4E3
1113.8121 7.2E3
END IONS
BEGIN IONS
FEATURE_ID=908
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55.0542 4.8E4
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325.7103 3.2E4
367.1519 4.2E4
415.2112 1.8E6
427.4662 3.6E4
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=911
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91.0542 1.4E4
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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FEATURE_ID=936
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=952
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=955
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END IONS
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FEATURE_ID=956
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END IONS
BEGIN IONS
FEATURE_ID=957
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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781.1541 1.5E3
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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FEATURE_ID=990
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END IONS
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226.0374 1.1E3
229.1436 1.3E3
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255.1592 2.9E4
255.1720 8.4E2
261.1329 9.1E3
273.1697 1.5E4
277.3498 1.3E3
291.1795 1.6E3
317.1958 6.7E4
435.1567 2.0E3
435.2946 1.5E3
END IONS
BEGIN IONS
FEATURE_ID=992
PEPMASS=473.2510
SCANS=992
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CHARGE=1+
MSLEVEL=2
52.5822 2.5E3
52.5839 2.0E4
55.9161 1.4E3
60.8899 1.2E3
68.7774 1.3E3
71.8870 1.1E3
74.7908 1.2E3
96.3832 1.1E3
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129.0359 1.3E3
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136.2729 1.2E3
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264.5801 1.2E3
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301.8138 1.4E3
365.7081 1.3E3
473.2509 4.2E5
473.3016 7.7E3
473.3177 4.5E3
473.3436 9.5E3
474.2549 1.4E4
END IONS
BEGIN IONS
FEATURE_ID=993
PEPMASS=494.3241
SCANS=993
RTINSECONDS=683.819
CHARGE=1+
MSLEVEL=2
54.9236 5.6E3
54.9254 4.0E4
55.0368 1.7E3
55.9681 1.2E3
58.4188 1.3E3
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117.0157 1.4E3
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150.1015 2.1E3
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314.2224 2.0E3
433.3089 2.8E3
451.2847 1.5E3
455.7696 1.3E3
466.3297 1.0E4
494.2287 7.2E3
494.2510 3.1E3
494.3240 9.0E5
494.4181 6.3E3
495.3284 3.8E4
513.1947 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=994
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SCANS=994
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CHARGE=1+
MSLEVEL=2
50.1243 1.6E3
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224.1069 5.9E3
238.1221 1.9E3
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466.2435 5.2E3
466.3315 8.2E5
466.4173 5.2E3
466.4434 2.4E3
467.3353 1.8E4
END IONS
BEGIN IONS
FEATURE_ID=995
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MSLEVEL=2
53.5608 1.6E3
56.1254 1.7E3
67.1176 1.6E3
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421.1574 6.9E3
421.1748 3.2E3
421.2325 9.9E5
421.3061 6.2E3
422.2358 1.8E4
END IONS
BEGIN IONS
FEATURE_ID=996
PEPMASS=402.3577
SCANS=996
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CHARGE=1+
MSLEVEL=2
52.7629 1.2E3
55.0542 7.2E3
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264.4112 1.2E3
283.2630 4.0E5
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402.2181 2.2E3
402.2891 3.1E3
402.3576 4.4E5
403.3605 9.3E3
END IONS
BEGIN IONS
FEATURE_ID=997
PEPMASS=399.2505
SCANS=997
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CHARGE=1+
MSLEVEL=2
55.0527 1.8E3
55.0543 2.1E4
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74.5603 1.1E3
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225.0887 3.8E3
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293.1560 1.3E3
299.1618 1.0E5
300.1666 2.0E3
399.2502 8.9E4
399.3069 5.5E3
400.2548 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=998
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MSLEVEL=2
51.7970 3.5E3
55.0543 1.9E4
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449.2866 3.8E4
END IONS
BEGIN IONS
FEATURE_ID=999
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52.2496 1.6E3
52.2506 5.7E3
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471.2695 3.6E4
END IONS
BEGIN IONS
FEATURE_ID=1000
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MSLEVEL=2
58.2743 1.3E3
73.0468 1.1E4
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414.2417 1.3E3
END IONS
BEGIN IONS
FEATURE_ID=1001
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SCANS=1001
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MSLEVEL=2
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579.3282 2.8E4
597.3393 3.0E4
END IONS
BEGIN IONS
FEATURE_ID=1002
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MSLEVEL=2
58.5741 5.3E3
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396.0710 1.2E4
411.0216 1.5E4
411.0934 2.4E6
412.0944 4.7E4
END IONS
BEGIN IONS
FEATURE_ID=1003
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MSLEVEL=2
57.0699 6.0E4
58.0651 2.9E4
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284.3720 1.4E4
285.3347 3.1E4
304.3491 5.6E3
END IONS
BEGIN IONS
FEATURE_ID=1004
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MSLEVEL=2
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436.2931 1.4E3
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510.4608 1.3E3
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597.3398 2.5E4
END IONS
BEGIN IONS
FEATURE_ID=1006
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51.5871 1.4E5
55.0542 5.2E4
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428.2589 1.6E5
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447.2723 2.2E4
464.2794 3.2E6
465.2821 6.6E4
END IONS
BEGIN IONS
FEATURE_ID=1007
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MSLEVEL=2
52.9743 1.3E3
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54.0277 6.0E3
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67.1917 1.4E3
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287.6790 1.3E3
324.6720 1.6E3
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486.1155 2.4E4
486.1697 4.7E3
486.2613 8.5E5
487.1125 3.1E3
487.2645 1.9E4
499.4108 1.3E3
END IONS
BEGIN IONS
FEATURE_ID=1008
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MSLEVEL=2
53.7887 2.8E3
55.0329 7.8E3
55.0347 5.5E4
65.5434 3.0E3
68.7713 2.2E3
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314.2208 5.1E3
379.2238 3.1E3
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477.2974 8.2E3
495.2127 8.5E3
495.2355 4.9E3
495.3080 1.2E6
495.4023 8.1E3
496.3116 3.1E4
END IONS
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FEATURE_ID=1009
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MSLEVEL=2
52.2382 3.5E3
57.9360 3.3E3
66.0464 3.6E3
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80.0492 3.3E3
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227.7115 3.8E3
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274.1453 1.3E4
275.1528 1.2E6
275.1922 4.8E3
276.1567 1.1E4
279.5737 3.9E3
END IONS
BEGIN IONS
FEATURE_ID=1010
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MSLEVEL=2
52.9991 2.2E3
58.8835 2.3E3
62.1463 2.3E3
65.5476 2.5E3
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274.1073 7.7E3
274.1461 1.5E6
274.1864 1.4E4
275.1256 3.2E3
275.1540 1.9E5
END IONS
BEGIN IONS
FEATURE_ID=1011
PEPMASS=276.1578
SCANS=1011
RTINSECONDS=708.985
CHARGE=1+
MSLEVEL=2
62.7901 1.4E3
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81.0572 1.9E3
82.4992 1.2E3
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276.1248 2.7E3
276.1574 6.7E5
276.1969 3.9E3
277.1611 4.8E3
297.3689 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=1013
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SCANS=1013
RTINSECONDS=719.961
CHARGE=1+
MSLEVEL=2
57.0681 1.5E3
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133.0864 1.9E3
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173.4803 1.2E3
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224.3624 1.0E3
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242.9344 1.3E3
286.3356 1.3E3
303.9233 1.5E3
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327.0078 1.0E4
327.1535 2.0E5
327.2296 2.4E3
327.2504 2.1E4
327.3810 3.5E3
328.1568 1.8E3
344.3410 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=1014
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SCANS=1014
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MSLEVEL=2
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529.3723 1.7E3
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618.4295 3.0E3
634.1508 2.1E4
634.4518 2.7E5
635.1473 9.6E3
635.4547 7.2E3
END IONS
BEGIN IONS
FEATURE_ID=1015
PEPMASS=524.3707
SCANS=1015
RTINSECONDS=726.786
CHARGE=1+
MSLEVEL=2
56.0494 1.9E3
57.0699 2.6E3
58.2639 1.3E4
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104.1115 2.2E3
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199.8317 1.2E3
227.9600 2.5E3
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311.6046 1.2E3
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365.6988 1.2E3
447.2835 2.0E3
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506.3599 2.8E4
511.3882 1.2E3
524.2668 2.3E3
524.3705 2.9E5
524.4730 2.1E3
525.3745 3.9E3
END IONS
BEGIN IONS
FEATURE_ID=1016
PEPMASS=590.4258
SCANS=1016
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CHARGE=1+
MSLEVEL=2
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591.4299 7.1E3
END IONS
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CHARGE=1+
MSLEVEL=2
78.0541 1.8E3
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702.4791 5.0E4
703.4385 1.7E4
END IONS
BEGIN IONS
FEATURE_ID=1018
PEPMASS=546.3996
SCANS=1018
RTINSECONDS=729.758
CHARGE=1+
MSLEVEL=2
58.8198 9.1E3
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549.3267 1.9E3
END IONS
BEGIN IONS
FEATURE_ID=1019
PEPMASS=326.3781
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RTINSECONDS=731.826
CHARGE=1+
MSLEVEL=2
52.6567 1.3E3
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71.0854 1.2E3
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326.4286 3.5E3
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327.2518 6.0E3
327.3818 1.2E4
335.7599 1.3E3
END IONS
BEGIN IONS
FEATURE_ID=1020
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RTINSECONDS=732.656
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1021
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510.3363 3.3E3
END IONS
BEGIN IONS
FEATURE_ID=1022
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MSLEVEL=2
55.0542 7.8E3
57.0697 1.0E3
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324.2897 1.3E5
END IONS
BEGIN IONS
FEATURE_ID=1023
PEPMASS=507.3287
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MSLEVEL=2
56.3685 3.3E3
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425.2137 1.3E3
439.3923 1.4E3
507.3286 5.7E5
507.4261 4.3E3
508.3317 7.4E3
END IONS
BEGIN IONS
FEATURE_ID=1025
PEPMASS=414.3210
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RTINSECONDS=734.544
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MSLEVEL=2
52.5797 1.7E3
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71.0855 3.4E4
77.0385 2.5E3
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247.2055 7.8E3
271.1539 2.2E5
291.2323 6.6E3
397.2945 1.5E5
414.3215 1.1E4
END IONS
BEGIN IONS
FEATURE_ID=1026
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CHARGE=1+
MSLEVEL=2
51.4768 6.9E3
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463.3026 1.1E6
463.3713 6.6E3
463.3884 7.5E3
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END IONS
BEGIN IONS
FEATURE_ID=1028
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SCANS=1028
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CHARGE=1+
MSLEVEL=2
51.9398 1.3E3
53.5699 1.2E3
55.0541 1.3E3
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270.3450 2.5E3
270.3540 4.1E3
271.1254 1.3E3
271.3189 9.6E3
271.6325 1.2E3
END IONS
BEGIN IONS
FEATURE_ID=1029
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SCANS=1029
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CHARGE=1+
MSLEVEL=2
55.0542 1.8E3
57.0699 2.7E4
57.0716 2.0E3
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247.2056 7.4E3
271.1539 2.1E5
291.2317 8.9E3
295.0871 1.4E3
397.2949 3.4E4
END IONS
BEGIN IONS
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SCANS=1030
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CHARGE=1+
MSLEVEL=2
57.0699 2.8E4
59.0492 1.4E3
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351.2197 1.4E3
353.2691 1.6E4
355.0699 6.2E3
370.2952 1.5E4
END IONS
BEGIN IONS
FEATURE_ID=1032
PEPMASS=600.4680
SCANS=1032
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CHARGE=1+
MSLEVEL=2
66.7172 1.5E3
66.7194 4.0E3
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415.2539 9.9E4
484.3569 1.3E3
583.4412 1.2E4
600.4054 2.8E3
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601.4743 1.9E3
END IONS
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CHARGE=1+
MSLEVEL=2
72.0392 5.5E3
72.0412 5.6E3
78.5740 4.0E3
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END IONS
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MSLEVEL=2
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END IONS
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458.3744 2.8E3
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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429.3782 2.8E3
429.3959 5.3E3
430.3221 1.8E4
430.3902 1.6E3
END IONS
BEGIN IONS
FEATURE_ID=1039
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MSLEVEL=2
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60.7216 1.2E3
60.7901 1.2E3
63.0794 1.1E3
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386.2965 6.3E3
END IONS
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MSLEVEL=2
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71.0855 9.0E3
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459.2801 1.2E4
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627.4677 5.8E4
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645.4989 5.1E3
END IONS
BEGIN IONS
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MSLEVEL=2
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71.0855 2.0E4
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END IONS
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END IONS
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495.3900 2.2E3
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583.5317 1.2E3
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601.4713 3.2E3
END IONS
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END IONS
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79.0541 2.6E4
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726.4789 6.1E5
END IONS
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81.2681 3.5E4
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732.4376 3.5E5
END IONS
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MSLEVEL=2
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425.2144 8.0E4
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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386.2954 5.7E4
END IONS
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41.0386 6.0E4
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END IONS
BEGIN IONS
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703.5444 2.7E3
END IONS
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END IONS
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END IONS
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54.1856 2.2E3
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73.0468 1.5E4
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445.1202 5.4E3
483.6170 2.8E3
END IONS
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52.4385 2.0E3
52.9077 2.1E3
53.0386 2.5E3
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55.0178 4.1E3
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END IONS
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END IONS
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END IONS
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END IONS
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864.5469 4.3E4
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917.5953 2.0E5
END IONS
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68.2766 1.2E4
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416.2586 3.5E3
597.4035 3.4E3
597.4573 3.0E4
614.4832 3.0E5
615.4863 7.7E3
END IONS
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MSLEVEL=2
52.3037 1.0E3
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END IONS
BEGIN IONS
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56.7653 1.2E3
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196.3550 1.3E3
261.1344 2.2E3
317.2061 6.4E5
317.2543 3.1E3
318.2100 1.0E4
END IONS
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END IONS
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50.2145 2.5E3
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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494.3325 3.0E4
END IONS
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END IONS
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END IONS
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302.0588 3.5E3
END IONS
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END IONS
BEGIN IONS
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322.0791 2.5E3
END IONS
BEGIN IONS
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322.2711 3.2E3
328.2640 3.0E3
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=1107
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END IONS
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END IONS
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548.4969 1.8E3
END IONS
BEGIN IONS
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MSLEVEL=2
51.7700 2.3E3
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299.7501 2.2E3
END IONS
BEGIN IONS
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MSLEVEL=2
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408.2180 3.8E3
END IONS
BEGIN IONS
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PEPMASS=413.3239
SCANS=1112
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MSLEVEL=2
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413.1921 1.9E3
413.2516 1.5E4
413.3239 8.4E5
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END IONS
BEGIN IONS
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RTINSECONDS=816.518
CHARGE=1+
MSLEVEL=2
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458.3522 2.2E4
END IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
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END 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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585.4744 2.1E3
END IONS
BEGIN IONS
FEATURE_ID=1118
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MSLEVEL=2
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91.5081 1.3E3
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END IONS
BEGIN IONS
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END IONS
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396.2181 1.5E4
END IONS
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FEATURE_ID=1121
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MSLEVEL=2
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END IONS
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END IONS
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414.2303 1.1E4
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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337.3143 7.3E3
END IONS
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FEATURE_ID=1135
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CHARGE=1+
MSLEVEL=2
101.0630 7.0E3
105.9510 1.6E4
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953.5443 3.8E5
954.5488 1.4E4
END IONS
BEGIN IONS
FEATURE_ID=1136
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MSLEVEL=2
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END IONS
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FEATURE_ID=1137
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CHARGE=1+
MSLEVEL=2
51.0927 1.1E3
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321.4124 1.2E3
325.1316 2.8E3
325.2713 5.6E5
326.2748 1.0E4
326.3410 2.7E3
END IONS
BEGIN IONS
FEATURE_ID=1138
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SCANS=1138
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CHARGE=1+
MSLEVEL=2
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880.6587 2.2E3
END IONS
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END IONS
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312.4271 1.1E3
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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100.7951 1.7E3
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878.5710 8.8E3
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959.6207 5.1E3
END IONS
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FEATURE_ID=1147
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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758.5977 2.6E3
759.5108 3.3E3
END IONS
BEGIN IONS
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764.4661 5.2E3
END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
FEATURE_ID=1188
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=1191
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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259.1230 3.5E5
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260.1279 1.2E4
END IONS
BEGIN IONS
FEATURE_ID=1201
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MSLEVEL=2
53.1425 1.2E3
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301.8264 1.4E3
408.1686 1.4E3
409.2709 1.1E5
409.3287 5.0E3
410.2748 3.2E3
END IONS
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FEATURE_ID=1202
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SCANS=1202
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CHARGE=1+
MSLEVEL=2
93.3150 7.9E3
147.6137 8.7E3
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397.0512 1.0E4
413.2659 1.2E6
414.2691 2.3E4
783.1887 5.0E4
784.1944 1.1E4
END IONS
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FEATURE_ID=1203
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CHARGE=1+
MSLEVEL=2
53.7187 1.8E3
57.0698 3.1E3
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END IONS
BEGIN IONS
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769.5439 2.3E4
END IONS
BEGIN IONS
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MSLEVEL=2
52.4133 1.1E4
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END IONS
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END IONS
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END 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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END IONS
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FEATURE_ID=1209
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915.4824 3.4E3
915.5930 2.2E4
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916.6358 6.5E4
END IONS
BEGIN IONS
FEATURE_ID=1210
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150.0994 2.0E3
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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BEGIN IONS
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END 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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688.4099 5.9E3
END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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FEATURE_ID=1235
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END 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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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=1244
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CHARGE=1+
MSLEVEL=2
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END 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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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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765.4262 4.0E3
END IONS
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END IONS
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568.3647 1.7E4
END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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429.2191 1.4E3
END IONS
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END IONS
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END IONS
BEGIN IONS
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74.1857 1.3E3
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
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END IONS
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END IONS
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END IONS
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FEATURE_ID=1393
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END IONS
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END IONS
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END IONS
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END IONS
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CHARGE=1+
MSLEVEL=2
71.0855 8.1E3
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607.3901 1.0E5
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663.4528 1.7E5
664.4563 1.6E4
END IONS
BEGIN IONS
FEATURE_ID=1398
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SCANS=1398
RTINSECONDS=963.857
CHARGE=1+
MSLEVEL=2
67.0532 1.3E4
67.0557 1.2E5
70.5963 3.4E3
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335.2552 5.1E3
347.2550 4.8E3
603.3668 1.5E4
603.4952 2.6E6
604.4988 5.0E4
END IONS
BEGIN IONS
FEATURE_ID=1399
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SCANS=1399
RTINSECONDS=964.143
CHARGE=1+
MSLEVEL=2
65.0389 8.3E3
66.9861 6.4E3
67.0543 1.1E5
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609.5450 3.1E6
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610.5498 6.1E4
614.5378 6.0E3
624.6274 6.7E3
END IONS
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CHARGE=1+
MSLEVEL=2
67.0543 5.5E4
69.0699 5.1E4
71.0855 3.6E4
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325.2931 7.8E3
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365.9965 1.1E4
563.5032 1.4E6
564.5070 2.4E4
END IONS
BEGIN IONS
FEATURE_ID=1401
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CHARGE=1+
MSLEVEL=2
60.7839 1.7E4
71.0855 5.2E4
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419.3519 1.2E6
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475.4144 6.7E5
475.4581 3.2E4
536.5571 1.6E4
END IONS
BEGIN IONS
FEATURE_ID=1402
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CHARGE=1+
MSLEVEL=2
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173.0945 1.6E3
227.7815 3.2E4
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377.3029 2.0E3
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649.6792 2.4E3
650.5414 2.2E4
663.4993 1.4E3
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1142.8054 1.6E3
END IONS
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MSLEVEL=2
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END IONS
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650.5407 4.4E4
END IONS
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END IONS
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RTINSECONDS=966.789
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1407
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930.7740 2.2E4
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END IONS
BEGIN IONS
FEATURE_ID=1408
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MSLEVEL=2
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475.2888 3.6E3
475.3236 2.9E3
475.3935 1.7E3
475.4683 2.2E3
END IONS
BEGIN IONS
FEATURE_ID=1409
PEPMASS=635.5222
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RTINSECONDS=968.093
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MSLEVEL=2
70.6117 6.0E3
70.6143 4.0E4
71.0856 2.0E3
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363.2866 4.0E3
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389.5635 1.3E3
522.2165 1.3E3
635.5216 8.7E5
636.5240 1.9E4
END IONS
BEGIN IONS
FEATURE_ID=1410
PEPMASS=644.5822
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RTINSECONDS=969.014
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MSLEVEL=2
69.0699 1.8E4
71.0855 1.5E4
81.0698 3.3E4
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95.0855 4.2E4
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111.1168 1.4E4
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160.3316 3.0E3
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610.5499 2.2E4
644.5236 5.7E3
644.5829 9.9E3
END IONS
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FEATURE_ID=1411
PEPMASS=630.5659
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RTINSECONDS=969.042
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MSLEVEL=2
66.6607 1.2E3
67.0543 7.6E3
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71.0857 3.7E3
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78.0549 1.4E3
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107.0856 1.8E3
109.1013 3.3E3
111.1169 3.1E3
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567.0137 5.3E3
570.2397 2.1E3
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631.3163 2.9E3
END IONS
BEGIN IONS
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PEPMASS=577.5185
SCANS=1412
RTINSECONDS=970.549
CHARGE=1+
MSLEVEL=2
62.9264 2.1E3
64.1670 1.6E4
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578.5225 6.3E4
END IONS
BEGIN IONS
FEATURE_ID=1413
PEPMASS=776.6248
SCANS=1413
RTINSECONDS=970.549
CHARGE=1+
MSLEVEL=2
83.0855 2.5E3
85.1011 7.7E3
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END IONS
BEGIN IONS
FEATURE_ID=1414
PEPMASS=1207.0794
SCANS=1414
RTINSECONDS=970.549
CHARGE=1+
MSLEVEL=2
177.9094 1.1E3
182.8295 1.4E3
227.9570 8.0E3
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325.2748 2.8E3
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778.0594 1.4E3
816.5007 1.5E3
1071.0148 1.3E3
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1206.8296 1.8E3
END IONS
BEGIN IONS
FEATURE_ID=1415
PEPMASS=1212.0344
SCANS=1415
RTINSECONDS=970.549
CHARGE=1+
MSLEVEL=2
131.8705 2.0E3
154.3809 3.4E3
227.9657 3.0E4
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END IONS
BEGIN IONS
FEATURE_ID=1416
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1417
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MSLEVEL=2
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END IONS
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MSLEVEL=2
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END IONS
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FEATURE_ID=1419
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END IONS
BEGIN IONS
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1421
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MSLEVEL=2
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END IONS
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=1424
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END IONS
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FEATURE_ID=1426
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END IONS
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END IONS
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70.2892 1.4E3
71.0855 1.8E3
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END IONS
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END IONS
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CHARGE=1+
MSLEVEL=2
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END IONS
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END IONS
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698.2212 1.7E3
END IONS
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MSLEVEL=2
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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64.1691 2.2E4
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585.7535 1.1E3
END IONS
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682.6342 1.3E6
683.6362 3.4E4
END IONS
BEGIN IONS
FEATURE_ID=1447
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SCANS=1447
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CHARGE=1+
MSLEVEL=2
76.6867 1.2E3
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78.4030 2.5E3
78.9545 1.3E3
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176.1573 2.0E3
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704.4567 6.0E3
704.6161 1.1E6
704.7430 4.4E3
704.7776 7.0E3
705.6198 4.3E4
END IONS
BEGIN IONS
FEATURE_ID=1448
PEPMASS=633.5420
SCANS=1448
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CHARGE=1+
MSLEVEL=2
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70.3944 2.4E4
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633.1501 3.2E3
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END IONS
BEGIN IONS
FEATURE_ID=1449
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SCANS=1449
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CHARGE=1+
MSLEVEL=2
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END IONS
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END IONS
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FEATURE_ID=1453
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MSLEVEL=2
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END IONS
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RTINSECONDS=990.908
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END IONS
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FEATURE_ID=1455
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1456
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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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END IONS
BEGIN IONS
FEATURE_ID=1460
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87.8784 1.2E3
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END IONS
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END IONS
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FEATURE_ID=1462
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END IONS
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SCANS=1463
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CHARGE=1+
MSLEVEL=2
67.6314 5.4E3
68.8344 2.2E4
68.8370 1.5E5
90.9652 5.9E3
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313.2733 1.2E4
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446.6977 5.0E3
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519.3728 5.4E3
601.9859 5.3E3
619.3930 1.9E4
619.4242 2.1E4
619.5266 3.4E6
619.6584 2.2E4
620.5288 7.5E4
END IONS
BEGIN IONS
FEATURE_ID=1464
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CHARGE=1+
MSLEVEL=2
67.0542 4.9E4
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227.9562 8.3E3
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313.2738 3.8E5
327.2895 1.6E5
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344.8793 7.0E3
371.1619 7.0E3
379.2748 8.1E3
579.5345 1.0E6
580.5380 1.6E4
END IONS
BEGIN IONS
FEATURE_ID=1465
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SCANS=1465
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CHARGE=1+
MSLEVEL=2
79.0337 1.9E3
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165.1644 2.2E3
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263.2733 7.7E3
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435.2498 2.2E3
435.2874 4.6E4
609.5448 5.3E5
610.5476 2.4E4
689.5107 4.1E3
END IONS
BEGIN IONS
FEATURE_ID=1466
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SCANS=1466
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CHARGE=1+
MSLEVEL=2
67.0542 2.3E4
69.0698 2.1E4
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313.2736 1.1E5
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355.3208 1.0E5
419.2723 5.7E3
516.2484 1.6E4
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594.5532 9.1E3
628.3058 7.5E3
628.3739 2.2E5
628.4426 6.1E3
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629.3762 2.6E4
END IONS
BEGIN IONS
FEATURE_ID=1467
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MSLEVEL=2
158.3882 4.3E3
206.1095 4.0E3
227.9657 2.8E4
327.2889 4.4E3
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633.5422 2.1E6
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634.5450 9.0E4
690.6273 4.3E3
1100.6462 5.2E3
1243.6703 1.3E4
1244.6716 1.1E4
END IONS
BEGIN IONS
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MSLEVEL=2
57.0335 1.9E4
57.0699 6.0E4
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383.3069 1.4E3
405.4853 1.2E3
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537.5241 3.5E5
537.6332 2.2E3
538.5277 8.5E3
END IONS
BEGIN IONS
FEATURE_ID=1469
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RTINSECONDS=997.357
CHARGE=1+
MSLEVEL=2
148.4679 1.5E3
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619.5269 2.0E5
620.5301 1.3E4
631.5232 1.8E3
632.5247 2.3E3
633.5425 2.5E5
634.5466 1.6E4
END IONS
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MSLEVEL=2
53.7839 1.6E3
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END IONS
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END IONS
BEGIN IONS
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MSLEVEL=2
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END 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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81.0698 6.5E3
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730.5086 2.2E4
END 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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65.9482 9.5E3
65.9506 6.6E4
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611.3445 1.7E3
END IONS
BEGIN IONS
FEATURE_ID=1477
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MSLEVEL=2
68.6909 5.4E3
70.3916 2.2E4
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90.0950 6.1E3
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327.2885 6.4E3
341.3061 6.7E3
480.9691 6.8E3
633.5420 3.6E6
634.5457 9.9E4
END IONS
BEGIN IONS
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MSLEVEL=2
67.0546 7.4E3
69.0702 4.0E3
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71.0858 4.1E3
80.0499 3.5E3
81.0698 1.2E4
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594.5533 2.8E5
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629.3770 1.2E5
629.4438 4.2E3
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END IONS
BEGIN IONS
FEATURE_ID=1479
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RTINSECONDS=1002.113
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MSLEVEL=2
140.6540 1.8E3
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223.0639 2.8E3
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594.5532 6.7E3
628.3748 2.3E3
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633.2276 1.5E3
657.2600 1.9E3
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891.5656 2.7E3
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END IONS
BEGIN IONS
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MSLEVEL=2
76.7170 3.9E3
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78.2915 1.4E5
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297.4915 3.7E3
305.0716 3.5E3
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704.4532 1.9E4
704.4905 1.6E4
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704.7767 2.2E4
705.3795 7.2E3
705.6191 7.4E4
END IONS
BEGIN IONS
FEATURE_ID=1481
PEPMASS=861.6583
SCANS=1481
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MSLEVEL=2
93.0469 1.4E3
95.7366 9.4E3
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95.8521 2.8E3
125.1311 1.4E3
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744.4841 1.6E3
861.4420 8.0E3
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861.6578 1.3E6
861.8319 6.3E3
861.8763 8.3E3
861.9392 3.4E3
862.6623 5.8E4
END IONS
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FEATURE_ID=1482
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MSLEVEL=2
150.5522 1.3E3
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162.1172 1.2E3
215.6877 1.3E3
227.9564 2.5E3
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363.2869 1.7E3
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591.4087 1.9E3
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592.5349 1.8E4
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907.7816 1.8E3
END IONS
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END IONS
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FEATURE_ID=1489
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SCANS=1489
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MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1490
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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256,558.1823450341071,1.2401446,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,179594.11,0.0,0.0,
257,253.11586387683707,1.251047,area,,,,138.0,,,,,,,0.0,0.0,0.0,0.0,0.0,446672.12,0.0,0.0,0.0,0.0,
258,376.18981945243047,1.251047,area,,,,138.0,,,,,,,0.0,0.0,0.0,0.0,0.0,81381.82,0.0,0.0,0.0,0.0,
259,215.13898540258745,1.2639816,area,,,,,,,,,,,0.0,410003.3,0.0,0.0,0.0,0.0,0.0,179324.95,0.0,0.0,
260,186.1237959803165,1.2696793,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,95824.76,0.0,0.0,0.0,
261,435.1471507664032,1.2729919,area,,,,,,,,,,,0.0,95941.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,246199.12,
262,199.1076792143135,1.2735584,area,,,,,,,,,,,0.0,0.0,432651.3,0.0,0.0,219402.75,0.0,0.0,980151.75,663886.06,
263,238.06848049368008,1.2802078,area,,,,111.0,,,,,,,0.0,0.0,0.0,576560.8,0.0,0.0,0.0,0.0,0.0,0.0,
265,453.1473998241754,1.2960546,area,,,,,,,,,,,0.0,0.0,0.0,148048.78,0.0,0.0,0.0,0.0,0.0,0.0,
266,247.1287827366674,1.2970347,area,,,,24.0,32.0,[M+NH4]+,,3.0,269;266;268,229.09497,0.0,0.0,0.0,0.0,0.0,271004.03,0.0,0.0,4666311.0,253148.1,
267,160.07565156568094,1.297111,area,,,,,,,,,,,0.0,0.0,260854.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
268,212.091737698504,1.3028103,area,,,,24.0,32.0,[M-H2O+H]+,MS/MS verified: nloss,2.0,266;268,229.09497,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,151935.38,0.0,
269,230.1022144074504,1.3028103,area,,,,24.0,32.0,[M+H]+,,1.0,266,229.09497,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123358.914,0.0,
270,491.2168086353122,1.3028103,area,,,,24.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,107202.38,0.0,
271,581.2184377118267,1.3028103,area,,,,24.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1062487.2,0.0,
272,248.13219902626827,1.303628,area,,,,24.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,138964.62,474867.03,0.0,
273,297.1080016427688,1.3058163,area,,,,2.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,152826.62,
274,216.0865309982128,1.3118367,area,,,,111.0,,,,,,,0.0,0.0,0.0,311926.62,0.0,0.0,0.0,0.0,0.0,0.0,
275,290.15343917939583,1.313745,area,,,,2.0,,,,,,,0.0,0.0,0.0,0.0,0.0,144445.61,0.0,0.0,0.0,0.0,
276,245.0953812524978,1.3183814,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1013445.06,0.0,
277,267.07732558940546,1.3228424,area,,,,2.0,,,,,,,0.0,0.0,155801.05,0.0,0.0,817935.1,438253.06,0.0,169693.53,579049.0,
280,181.0971103874116,1.3255415,area,,,,2.0,,,,,,,0.0,0.0,0.0,0.0,0.0,1137722.6,0.0,0.0,0.0,824061.44,
279,511.1652045983153,1.3293884,area,,,,2.0,,,,,,,0.0,0.0,0.0,0.0,0.0,275198.22,0.0,0.0,0.0,0.0,
281,419.1656236547935,1.3337487,area,,,,24.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,201123.53,0.0,
282,217.15456317041912,1.3407454,area,,,,38.0,,,,,,,4347311.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
283,218.15786555936464,1.3407454,area,,,,38.0,,,,,,,433250.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
284,433.3017493887882,1.3407454,area,,,,38.0,,,,,,,100556.74,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
285,312.1916856522082,1.3489437,area,,,,,,,,,,,0.0,176892.3,0.0,0.0,148156.34,0.0,0.0,0.0,0.0,0.0,
288,284.1104355585298,1.3666373,area,,,,,,,,,,,0.0,340583.97,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
289,158.1175467166424,1.3687111,area,,,,22.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,340126.75,0.0,0.0,
290,281.11316781023226,1.3687111,area,,,,22.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,126762.94,0.0,0.0,
291,310.12834360415604,1.3800861,area,,,,171.0,,,,,,,0.0,0.0,478238.16,0.0,0.0,0.0,0.0,0.0,270213.8,659306.94,
292,279.10076966160574,1.3803209,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,511870.66,0.0,
293,328.1388981764559,1.3875148,area,,,,171.0,,,,,,,0.0,0.0,1009641.0,0.0,150096.45,0.0,0.0,0.0,876062.1,1206439.0,
294,244.1179131486347,1.4135163,area,,,,,,,,,,,0.0,762968.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
296,222.07948761486435,1.4334491,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209693.0,0.0,0.0,
295,169.0971350640875,1.4381056,area,,,,26.0,,,,,,,0.0,0.0,0.0,0.0,0.0,695206.0,0.0,0.0,2906620.2,3049360.2,
297,310.04823547307683,1.4449244,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,174297.08,158024.36,
298,170.1004251705184,1.447195,area,,,,26.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190174.92,
299,237.08692944527508,1.447195,area,,,,194.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,236433.58,
300,484.2036150261281,1.447195,area,,,,194.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,343671.75,
302,441.1864493775068,1.4579178,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,151899.06,0.0,
304,311.07285707681683,1.4736158,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,377241.9,0.0,
309,311.1235823607378,1.4891493,area,,,,107.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1660608.4,0.0,
306,312.127244702668,1.4891493,area,,,,107.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,184262.33,0.0,
307,249.08444795494444,1.4958141,area,,,,31.0,35.0,[M+Na]+,,3.0,313;308;307,226.09521,0.0,0.0,187709.55,0.0,0.0,0.0,0.0,0.0,0.0,544328.8,
310,392.1813522633025,1.4958141,area,,,,31.0,,,,,,,0.0,0.0,2877048.2,0.0,0.0,0.0,0.0,0.0,0.0,1807167.8,
308,453.1975700529198,1.4958141,area,,,,31.0,35.0,[2M+H]+,MS/MS verified: xmer,2.0,308;307,226.09521,0.0,0.0,537981.94,0.0,0.0,0.0,0.0,0.0,0.0,413872.97,
311,475.1794959923391,1.5037661,area,,,,31.0,35.0,[2M+Na]+,MS/MS verified: xmer,2.0,313;311,226.09521,0.0,0.0,424456.16,0.0,0.0,0.0,0.0,0.0,0.0,359848.44,
312,275.10593322654694,1.507486,area,,,,,,,,,,,0.0,910117.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
313,227.10260511556007,1.5090741,area,,,,31.0,35.0,[M+H]+,,3.0,313;311;307,226.09521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3720728.8,
314,298.1283925237252,1.5116253,area,,,,157.0,,,,,,,0.0,0.0,517147.34,0.0,0.0,0.0,0.0,0.0,0.0,325817.38,
315,260.1603562456148,1.5276383,area,,,,,,,,,,,167813.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
316,280.11791110760817,1.5406963,area,,,,157.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,183608.31,
317,209.0920464074765,1.5457044,area,,,,31.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3491636.0,798521.94,
318,221.0920935564129,1.548024,area,,,,164.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,220925.08,0.0,0.0,
319,295.12879101421834,1.548024,area,,,,164.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,122645.97,0.0,0.0,
320,242.1000093177104,1.5480789,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,356861.5,171786.9,0.0,0.0,135591.86,
321,220.1179400946909,1.5540353,area,,,,,,,,,,,0.0,0.0,0.0,120026.484,278641.5,430383.66,199628.47,198731.8,1142302.6,647021.06,
324,242.18624730219275,1.576357,area,,,,,,,,,,,0.0,0.0,707088.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
323,437.21383697071184,1.576357,area,,,,,,,,,,,0.0,0.0,134128.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
325,520.2249160879329,1.5875163,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123972.875,
326,158.0811819226992,1.6099225,area,,,,,,,,,,,227843.22,118300.26,315686.06,0.0,176080.92,266434.34,0.0,264179.6,307222.2,386084.25,
327,351.1760684413442,1.6129835,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86043.37,0.0,
328,192.06432775756784,1.6149491,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,212941.27,0.0,842885.75,0.0,
329,328.15039188459224,1.6363004,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,273216.12,
330,279.13377740388285,1.6678478,area,,,,,,,,,,,380252.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
331,215.13909634737735,1.6946794,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,104595.38,0.0,0.0,0.0,
333,356.1451430496359,1.7019455,area,,,,,,,,,,,0.0,0.0,465473.25,0.0,0.0,0.0,0.0,0.0,0.0,1194466.2,
334,158.02705179078487,1.723947,area,,,,,,,,,,,0.0,139550.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,274170.97,
335,276.1705907922149,1.7302728,area,,,,,,,,,,,0.0,0.0,293629.66,0.0,0.0,0.0,0.0,0.0,294143.47,372570.28,
336,237.1233601582503,1.7450175,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,236383.17,0.0,0.0,
338,152.070637805433,1.7606454,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,92801.484,99412.1,0.0,0.0,
340,201.1233763732822,1.8103542,area,,,,,,,,,,,0.0,0.0,201594.19,0.0,0.0,0.0,0.0,0.0,521665.0,529681.3,
341,185.07861213256115,1.8226044,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,173395.39,0.0,0.0,0.0,0.0,
342,254.15023646794327,1.8226044,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,369190.25,0.0,0.0,0.0,0.0,
343,276.13217226548824,1.8226044,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,191737.67,0.0,0.0,0.0,0.0,
344,189.12334269743585,1.8378333,area,,,,,,,,,,,0.0,383842.47,0.0,0.0,296635.06,0.0,0.0,163763.17,0.0,0.0,
346,239.05251116913223,1.8618648,area,,,,,,,,,,,0.0,0.0,0.0,121610.36,0.0,0.0,0.0,0.0,0.0,0.0,
348,419.152460453512,1.8781902,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,340584.25,
349,250.116408959232,1.8823531,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,89367.37,0.0,0.0,0.0,100269.445,
350,188.0706808613033,1.9018714,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,125277.59,0.0,0.0,0.0,
351,211.10780096088877,1.9100926,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,235628.86,
352,453.20947838431465,1.9100926,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,177175.73,
353,228.134258127424,1.916638,area,,,,,,,,,,,0.0,0.0,378408.56,0.0,0.0,0.0,0.0,0.0,503865.3,497280.78,
354,334.1609375772356,1.9260379,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,90312.08,
355,318.1659869939677,1.9435114,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,128126.586,
356,270.1925184080214,1.9497434,area,,,,,,,,,,,0.0,176069.4,0.0,0.0,206279.9,278990.47,0.0,120125.836,0.0,0.0,
358,247.1288235677275,1.9579859,area,,,,,,,,,,,0.0,290033.0,477649.9,358181.97,911539.44,0.0,254308.53,0.0,0.0,0.0,
359,229.11829229970192,1.9658356,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221352.77,0.0,
360,461.3330305388545,1.982938,area,,,,,,,,,,,138211.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
361,243.13391695279185,1.9906738,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,280687.78,0.0,0.0,
362,289.1758272319159,1.9913384,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,126060.055,
363,261.1443077826902,2.0140707,area,,,,,,,,,,,87832.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
365,215.1390130968664,2.0398479,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,118390.26,
366,285.1345732145693,2.0460336,area,,,,,,,,,,,0.0,0.0,260459.77,0.0,0.0,0.0,0.0,0.0,138660.25,94378.08,
368,304.1768254894211,2.0654786,area,,,,,,,,,,,0.0,0.0,257386.72,0.0,0.0,116426.77,135219.52,0.0,168514.84,239123.81,
369,248.0920560928071,2.078746,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,307852.22,0.0,0.0,0.0,0.0,
370,412.1569986898338,2.07964,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,497522.5,0.0,
372,226.10743408362092,2.1125906,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190184.0,0.0,
373,195.11289681206952,2.1497881,area,,,,,,,,,,,0.0,0.0,400569.72,0.0,0.0,301081.1,127236.17,0.0,0.0,0.0,
374,182.04946620093992,2.1705878,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,92699.305,0.0,0.0,
375,367.1496261676763,2.1765158,area,,,,,,,,,,,0.0,0.0,90375.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
376,431.21351883389775,2.2162805,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,132390.11,
377,314.20717971795,2.2214293,area,,,,,,,,,,,227015.72,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
378,293.16071066416106,2.271855,area,,,,,,,,,,,0.0,0.0,168505.39,0.0,0.0,0.0,0.0,0.0,192891.58,0.0,
379,229.15462041302672,2.272533,area,,,,,,,,,,,0.0,0.0,159872.47,0.0,0.0,0.0,185804.05,0.0,0.0,0.0,
380,271.0721708319133,2.3016794,area,,,,,,,,,,,0.0,0.0,184765.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
381,472.2024885010759,2.3411326,area,,,,,,,,,,,0.0,289579.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,211702.0,
382,201.0081305761168,2.3633869,area,,,,,,,,,,,115973.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
383,358.14296655276024,2.3691812,area,,,,148.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,238372.92,0.0,
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535,199.0866271140744,4.465455,area,,,,88.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,93752.3,
536,210.02200473401905,4.465455,area,,,,88.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,170623.5,
537,261.123613160294,4.4659634,area,,,,88.0,,,,,,,0.0,0.0,0.0,0.0,0.0,104141.65,0.0,0.0,0.0,743908.25,
544,342.0970491441336,4.50393,area,,,,,,,,,,,0.0,0.0,0.0,0.0,165493.7,0.0,0.0,0.0,0.0,0.0,
545,290.15980534440905,4.51011,area,,,,,,,,,,,0.0,0.0,114660.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
546,302.1498791275425,4.526456,area,,,,,,,,,,,446033.3,108993.234,0.0,172184.78,400889.84,0.0,0.0,0.0,0.0,0.0,
547,183.11283286135875,4.544409,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,291568.97,0.0,
548,206.08460658057805,4.544409,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,135168.42,0.0,
549,438.1178359344318,4.550351,area,,,,,,,,,,,0.0,0.0,0.0,0.0,107768.94,0.0,0.0,0.0,0.0,0.0,
550,613.2024846212425,4.550351,area,,,,,,,,,,,0.0,0.0,0.0,0.0,256046.67,0.0,0.0,0.0,0.0,0.0,
551,229.11833184878685,4.5601263,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,86711.96,0.0,
552,741.242470274354,4.565868,area,,,,,,,,,,,0.0,0.0,0.0,0.0,83792.36,0.0,0.0,0.0,0.0,0.0,
553,222.03164679758123,4.591057,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,214245.5,0.0,0.0,0.0,
554,456.12871834828815,4.5966353,area,,,,126.0,,,,,,,0.0,0.0,0.0,0.0,132240.03,0.0,0.0,0.0,0.0,0.0,
555,330.23870869179046,4.5996203,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,345365.72,0.0,0.0,
556,342.23866501996315,4.5996203,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,121865.664,0.0,0.0,
557,586.3087541922199,4.611172,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,215351.31,
559,513.186950568064,4.6200266,area,,,,126.0,,,,,,,0.0,0.0,0.0,0.0,3720216.0,182048.27,0.0,0.0,0.0,0.0,
560,239.05821227023608,4.622513,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,205923.83,0.0,0.0,0.0,
561,362.2106100923701,4.63306,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,219599.42,0.0,0.0,
565,194.11755667626943,4.6418514,area,,,,,,,,,,,427076.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
566,815.3908974765267,4.6836047,area,,,,36.0,44.0,[2M+Na]+,MS/MS verified: xmer,2.0,567;566,396.20076,0.0,0.0,187281.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
567,397.20790914897606,4.7042494,area,,,,36.0,44.0,[M+H]+,,3.0,567;566;570,396.20076,0.0,0.0,1684205.4,0.0,0.0,0.0,0.0,0.0,0.0,4706653.0,
568,218.14009965600644,4.7118196,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,120217.94,117090.75,0.0,0.0,0.0,
569,328.2230283292487,4.7153864,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,118390.93,0.0,0.0,
570,419.1900163926571,4.7193537,area,,,,36.0,44.0,[M+Na]+,,2.0,567;570,396.20076,0.0,0.0,306960.84,0.0,0.0,0.0,0.0,0.0,0.0,504526.2,
572,302.20739387731726,4.7344565,area,,,,,,,,,,,181613.56,0.0,0.0,0.0,0.0,0.0,0.0,198039.61,0.0,0.0,
574,657.3210992816196,4.7466717,area,,,,,,,,,,,0.0,0.0,98936.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
575,197.10730960327797,4.7508116,area,,,,,,,,,,,0.0,0.0,1557885.0,0.0,0.0,0.0,0.0,0.0,1254728.6,0.0,
577,595.2293042583728,4.769778,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,141633.86,0.0,0.0,0.0,0.0,
579,277.11823094237354,4.7825127,area,,,,,,,,,,,0.0,0.0,386350.53,0.0,0.0,0.0,0.0,0.0,0.0,1236462.6,
580,536.2812781875235,4.8039145,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123356.555,0.0,
582,364.2230946024867,4.81204,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,264508.8,0.0,0.0,
589,649.2388069308643,4.817182,area,,,,,,,,,,,0.0,0.0,0.0,0.0,143314.92,0.0,0.0,0.0,0.0,0.0,
596,433.168248488414,4.834114,area,,,,,,,,,,,0.0,113317.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,109688.92,
598,330.202383175473,4.8516226,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,578771.2,576936.1,
599,184.09508202189647,4.874315,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,354410.16,0.0,0.0,0.0,197463.44,
590,279.17032048321755,4.8773265,area,,,,12.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1077089.0,0.0,0.0,
602,609.2444406711729,4.888255,area,,,,,,,,,,,0.0,0.0,0.0,0.0,234810.94,71137.516,0.0,0.0,0.0,0.0,
603,280.17381361321367,4.893391,area,,,,12.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123367.3,0.0,0.0,
607,155.07042620543166,4.927276,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,318222.3,0.0,0.0,0.0,0.0,
608,360.19175078091587,4.9391446,area,,,,,,,,,,,0.0,0.0,775944.44,0.0,0.0,258750.73,236172.02,0.0,1120184.4,690219.2,
609,567.1973319178564,4.9438252,area,,,,,,,,,,,0.0,0.0,0.0,0.0,277269.44,0.0,0.0,0.0,0.0,0.0,
610,318.18114732197887,4.946726,area,,,,125.0,,,,,,,158097.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
611,360.2128740807061,4.946726,area,,,,,,,,,,,125249.87,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
612,427.2914925109581,4.946726,area,,,,125.0,,,,,,,353460.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
613,507.5965552733432,4.946726,area,,,,125.0,,,,,,,445274.66,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
614,231.12316436309143,4.9488606,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,162399.52,0.0,
617,211.1441250338141,4.9744225,area,,,,47.0,,,,,,,0.0,0.0,4934465.5,0.0,0.0,4077152.0,0.0,0.0,13633498.0,15807721.0,
618,212.14740969295767,4.975623,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,449854.94,338547.88,0.0,1578255.9,1812600.6,
619,627.2545462706127,4.9762936,area,,,,,,,,,,,0.0,0.0,0.0,224938.17,0.0,0.0,0.0,0.0,0.0,0.0,
620,352.09517946944493,4.987204,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,225068.9,321340.7,
621,336.12293483606226,4.9894466,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,172549.94,0.0,0.0,209160.56,
622,186.5888367108741,4.9972315,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,262209.75,0.0,0.0,264140.75,
626,166.07555166455,5.0001206,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,141447.22,0.0,0.0,0.0,
627,175.08086379331925,5.009657,area,,,,47.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,197357.16,
628,437.2394756471244,5.009657,area,,,,71.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1188918.2,
629,459.2214648385315,5.009657,area,,,,71.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,201407.1,
630,514.1707539512298,5.038169,area,,,,,,,,,,,0.0,0.0,0.0,0.0,188207.4,0.0,0.0,0.0,0.0,0.0,
631,311.6451418319429,5.040637,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,223713.78,
633,316.1291945223753,5.049466,area,,,,152.0,,,,,,,0.0,0.0,130357.34,0.0,0.0,0.0,0.0,0.0,0.0,277799.9,
634,710.255691602623,5.0694385,area,,,,,,,,,,,0.0,0.0,0.0,0.0,747198.56,0.0,0.0,0.0,0.0,0.0,
635,240.60812154120111,5.071761,area,,,,152.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,416703.5,
638,374.17095529337655,5.096677,area,,,,,,,,,,,0.0,0.0,345069.66,0.0,0.0,0.0,0.0,0.0,0.0,187586.28,
639,393.16893559442894,5.1077604,area,,,,105.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239966.64,362909.2,0.0,
640,263.105917105503,5.109978,area,,,,105.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,125389.2,0.0,
641,415.1508762917023,5.109978,area,,,,105.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,320239.4,0.0,
642,372.1919353297339,5.119553,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,119014.125,
643,215.11782068999116,5.1208944,area,,,,,,,,,,,0.0,0.0,185423.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
644,354.23895612435604,5.125382,area,,,,,,,,,,,0.0,178736.86,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
645,243.1127623822283,5.13644,area,,,,,,,,,,,0.0,0.0,466250.72,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
646,537.223627270408,5.1419277,area,,,,132.0,,,,,,,0.0,0.0,0.0,0.0,273244.25,117306.49,0.0,0.0,0.0,0.0,
647,294.1335115712245,5.148844,area,,,,132.0,,,,,,,0.0,0.0,0.0,0.0,127271.58,0.0,0.0,0.0,0.0,0.0,
648,342.2387324783716,5.1536155,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,108357.43,0.0,0.0,
649,326.1767148606098,5.157375,area,,,,,,,,,,,0.0,120575.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
650,595.2288817194609,5.1692376,area,,,,132.0,,,,,,,0.0,0.0,0.0,134247.06,1930718.0,276379.25,0.0,0.0,0.0,0.0,
651,313.1547373002451,5.169709,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,168840.89,0.0,0.0,
652,439.2915265125175,5.1899767,area,,,,,,,,,,,408823.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
653,257.18598065634785,5.1919627,area,,,,,,,,,,,0.0,0.0,0.0,145391.6,0.0,0.0,0.0,0.0,0.0,0.0,
654,330.2387762276609,5.2031336,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,230373.88,0.0,0.0,
661,296.6400408253486,5.250099,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,237375.72,
664,208.06035738583293,5.330749,area,,,,190.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4745673.5,
665,209.06365091659657,5.330749,area,,,,190.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469720.06,
666,239.07898084668545,5.3378406,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,174292.48,0.0,
667,303.64751042261105,5.3465786,area,,,,66.0,49.0,[M+2H]+2,,2.0,667;673,605.28049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6717724.0,
668,318.1812205854503,5.35106,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,232544.58,0.0,0.0,
669,263.09150692842974,5.356623,area,,,,56.0,51.0,[M+H]+,,2.0,683;671,262.08422,0.0,0.0,0.0,0.0,135075.12,1772694.2,0.0,0.0,0.0,0.0,
670,231.0653847063289,5.3584437,area,,,,56.0,,,,,,,0.0,0.0,0.0,0.0,0.0,366222.84,0.0,0.0,0.0,0.0,
671,547.1578407343948,5.3584437,area,,,,56.0,51.0,[2M+Na]+,MS/MS verified: xmer,2.0,669;671,262.08422,0.0,0.0,0.0,0.0,0.0,1115721.9,0.0,0.0,0.0,0.0,
672,606.2877929506179,5.363189,area,,,,66.0,49.0,[M+H]+,,2.0,672;673,605.28049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2222484.0,
673,628.269707041714,5.363189,area,,,,66.0,49.0,[M+Na]+,,3.0,672;667;673,605.28049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362710.8,
674,732.4023598507961,5.363189,area,,,,66.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,200209.83,
676,246.1317115453564,5.371083,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2150723.8,0.0,
677,565.218033496967,5.372302,area,,,,,,,,,,,0.0,0.0,0.0,0.0,275340.25,0.0,0.0,0.0,0.0,0.0,
678,308.1495404325742,5.3739386,area,,,,56.0,,,,,,,0.0,0.0,0.0,0.0,0.0,214682.73,0.0,0.0,0.0,0.0,
679,461.2368779583192,5.3765726,area,,,,41.0,,,,,,,0.0,0.0,236013.75,0.0,0.0,0.0,0.0,0.0,0.0,119906.016,
675,245.12831507610431,5.3823037,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14492659.0,16270803.0,
680,264.1017196155925,5.3823037,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,142381.47,429479.97,
681,345.0529245984044,5.3823037,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,252872.2,333561.6,
682,439.2548126551199,5.3843484,area,,,,41.0,,,,,,,0.0,0.0,495570.9,0.0,0.0,0.0,0.0,0.0,0.0,843203.06,
683,285.073344550688,5.384648,area,,,,56.0,51.0,[M+Na]+,,2.0,683;669,262.08422,0.0,0.0,0.0,125953.93,226140.27,4066502.8,0.0,0.0,0.0,0.0,
684,183.06772996799504,5.3876696,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,210589.83,0.0,0.0,417550.62,
685,171.55970307913665,5.3935246,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,184477.05,
686,175.07897990890862,5.3935246,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,108415.7,
687,295.6500574406427,5.3935246,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,705359.94,
688,590.2930708077745,5.3935246,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,324182.75,
689,329.080702423616,5.3953204,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,115081.68,0.0,0.0,206109.78,
690,162.5544599447971,5.4087763,area,,,,41.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,189595.27,
691,255.06522512702776,5.41777,area,,,,,,,,,,,251125.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
694,1017.3249569696856,5.4643264,area,,,,87.0,56.0,[2M+Na]+,MS/MS verified: xmer,3.0,706;694;704,497.16796,0.0,0.0,0.0,0.0,177793.78,0.0,0.0,0.0,0.0,0.0,
695,1122.4083634568165,5.4643264,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,577410.1,0.0,0.0,0.0,0.0,0.0,
696,497.1630679161868,5.478859,area,,,,,,,,,,,0.0,0.0,0.0,0.0,535973.75,0.0,0.0,0.0,0.0,0.0,
697,995.3431863390608,5.478859,area,,,,87.0,56.0,[2M+H]+,MS/MS verified: xmer,2.0,697;705,497.16796,0.0,0.0,0.0,0.0,847449.7,0.0,0.0,0.0,0.0,0.0,
698,1012.3713149684638,5.478859,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,131144.61,0.0,0.0,0.0,0.0,0.0,
699,1106.412828802885,5.478859,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,2997057.5,0.0,0.0,0.0,0.0,0.0,
700,1217.4818281201724,5.4806905,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,394418.3,130780.9,0.0,0.0,0.0,0.0,
701,496.15949234106085,5.487391,area,,,,,,,,,,,0.0,0.0,0.0,228943.16,0.0,0.0,0.0,0.0,0.0,0.0,
702,609.2440162878016,5.489061,area,,,,87.0,,,,,,,0.0,0.0,0.0,2185473.2,27826096.0,11745876.0,1722210.4,0.0,0.0,0.0,
703,466.1491014056737,5.4939566,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,1119956.9,0.0,0.0,0.0,0.0,0.0,
704,498.1756203848195,5.49812,area,,,,87.0,56.0,[M+H]+,,3.0,694;704;705,497.16796,0.0,0.0,0.0,773075.1,6407835.0,200364.36,0.0,0.0,0.0,0.0,
705,520.157011467791,5.4994416,area,,,,87.0,56.0,[M+Na]+,,4.0,706;704;697;705,497.16796,0.0,0.0,0.0,152692.89,497034.38,0.0,0.0,0.0,0.0,0.0,
706,515.2016518197494,5.509043,area,,,,87.0,56.0,[M+NH4]+,,3.0,706;694;705,497.16796,0.0,0.0,0.0,0.0,160107.14,0.0,0.0,0.0,0.0,0.0,
708,499.1784758837837,5.518446,area,,,,87.0,,,,,,,0.0,0.0,0.0,203540.67,0.0,0.0,0.0,0.0,0.0,0.0,
709,634.1478188478358,5.5244646,area,,,,87.0,,,,,,,0.0,0.0,0.0,0.0,242540.61,0.0,0.0,0.0,0.0,0.0,
710,213.1599637791373,5.529351,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,161478.34,181918.77,
711,551.2382293638905,5.5702767,area,,,,,,,,,,,0.0,0.0,0.0,0.0,171535.84,0.0,0.0,0.0,0.0,0.0,
713,719.3377012329481,5.584799,area,,,,,,,,,,,0.0,0.0,111401.66,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
714,273.01940175998425,5.587186,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,168051.19,0.0,0.0,0.0,
720,284.13949376344,5.611502,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,346999.16,189947.33,
721,352.1656333005928,5.61501,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,253067.62,0.0,0.0,
723,627.2449460295734,5.649004,area,,,,192.0,,,,,,,0.0,0.0,0.0,0.0,173644.5,0.0,0.0,0.0,0.0,0.0,
724,625.2394708820419,5.652628,area,,,,192.0,,,,,,,0.0,0.0,0.0,0.0,2682221.2,145378.53,0.0,0.0,0.0,0.0,
726,515.154110509918,5.6800036,area,,,,,,,,,,,0.0,0.0,0.0,0.0,390604.03,0.0,0.0,0.0,0.0,0.0,
727,581.2392973884611,5.695859,area,,,,135.0,,,,,,,0.0,0.0,0.0,0.0,298053.84,0.0,0.0,0.0,0.0,0.0,
730,579.2340798152788,5.7112174,area,,,,135.0,,,,,,,0.0,0.0,0.0,0.0,4511314.5,1756587.6,350264.34,0.0,0.0,0.0,
731,425.2395765961468,5.716851,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141198.6,0.0,
732,583.2281301408017,5.7268786,area,,,,,,,,,,,0.0,0.0,0.0,0.0,531966.4,0.0,0.0,0.0,0.0,0.0,
733,356.21842866768503,5.737144,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,149091.89,
734,316.22308624971987,5.761333,area,,,,,,,,,,,0.0,131170.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
737,623.2599301837473,5.7747436,area,,,,193.0,,,,,,,0.0,0.0,0.0,0.0,446205.0,0.0,0.0,0.0,0.0,0.0,
738,624.2631923605787,5.7747436,area,,,,193.0,,,,,,,0.0,0.0,0.0,0.0,115718.55,0.0,0.0,0.0,0.0,0.0,
739,344.2543733077923,5.779862,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,89501.89,0.0,0.0,
740,230.13873413979533,5.783437,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,137549.0,0.0,
741,433.20846692840246,5.81939,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,153441.83,
747,243.0878451132133,5.852248,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,147658.45,
748,267.0267749987543,5.8646474,area,,,,103.0,,,,,,,0.0,0.0,0.0,0.0,0.0,553471.6,0.0,0.0,0.0,0.0,
749,262.10736850758,5.8818994,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,145531.53,0.0,
750,169.08602686186074,5.89654,area,,,,103.0,,,,,,,0.0,0.0,0.0,312559.75,0.0,1659493.2,94032.33,0.0,0.0,0.0,
751,176.07058770040416,5.8979297,area,,,,46.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148956.9,0.0,
752,194.08118607785465,5.8979297,area,,,,46.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,788402.4,0.0,
753,468.1653795794906,5.917895,area,,,,154.0,,,,,,,0.0,0.0,0.0,0.0,116579.16,0.0,0.0,0.0,0.0,0.0,
754,595.2288339553666,5.917895,area,,,,154.0,,,,,,,0.0,0.0,0.0,0.0,323019.53,0.0,0.0,0.0,0.0,0.0,
755,457.3384470361219,5.924012,area,,,,,,,,,,,305960.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
756,367.0500322156594,5.979367,area,,,,176.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,233627.1,0.0,
757,273.03204420948333,5.995391,area,,,,176.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,142923.88,0.0,
758,1107.5586639199605,6.0103054,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,331778.2,0.0,0.0,
759,706.2974037667819,6.0294905,area,,,,,,,,,,,0.0,0.0,0.0,0.0,145332.1,0.0,0.0,0.0,0.0,0.0,
760,514.1710121465899,6.0608125,area,,,,173.0,,,,,,,0.0,0.0,0.0,0.0,714991.94,0.0,0.0,0.0,0.0,0.0,
761,536.1528708349658,6.0608125,area,,,,173.0,,,,,,,0.0,0.0,0.0,0.0,108161.42,0.0,0.0,0.0,0.0,0.0,
762,360.1811217124064,6.0763493,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,194964.81,0.0,0.0,0.0,0.0,
764,350.1347344428355,6.1490355,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,653458.0,
767,647.3759251636585,6.220155,area,,,,200.0,,,,,,,0.0,0.0,285848.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
768,669.3578413685627,6.220155,area,,,,200.0,,,,,,,0.0,0.0,494340.78,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
769,593.2500928905855,6.260749,area,,,,,,,,,,,0.0,0.0,0.0,0.0,685569.25,718867.8,0.0,0.0,0.0,0.0,
772,868.5052983470647,6.340647,area,,,,,,,,,,,0.0,0.0,344971.53,0.0,0.0,0.0,108184.7,0.0,301538.25,0.0,
773,358.2700246142224,6.3605394,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,134161.97,0.0,0.0,
775,307.05764454169025,6.4091773,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,210512.64,0.0,0.0,
776,264.12787875504137,6.4360557,area,,,,,,,,,,,0.0,0.0,0.0,296480.0,201718.83,780611.7,637936.75,0.0,0.0,0.0,
777,261.15981104482165,6.4616,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,182131.3,
779,706.4526950485928,6.5411577,area,,,,,,,,,,,0.0,0.0,475048.4,0.0,0.0,445984.94,445153.94,0.0,166320.58,255177.47,
780,255.0650925026557,6.619293,area,,,,81.0,61.0,[M+H]+,,3.0,783;781;780,254.05773,0.0,5579125.0,760868.8,2536327.0,5286569.0,0.0,0.0,11409342.0,1155440.5,718610.5,
781,277.04697758159523,6.6215124,area,,,,81.0,61.0,[M+Na]+,,2.0,781;780,254.05773,0.0,559433.0,155596.2,365347.03,351881.12,0.0,0.0,1042735.0,236031.83,120973.69,
782,188.03610061436,6.625298,area,,,,81.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,117468.375,0.0,0.0,
783,531.1044739842171,6.631935,area,,,,81.0,61.0,[2M+Na]+,MS/MS verified: xmer,2.0,783;780,254.05773,0.0,279931.62,0.0,159180.44,152164.1,0.0,0.0,633476.6,0.0,0.0,
784,560.3950596062127,6.6603947,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,392386.34,388133.44,0.0,0.0,0.0,
785,307.0576176880439,6.754806,area,,,,160.0,,,,,,,0.0,153028.39,0.0,0.0,0.0,0.0,0.0,241086.61,0.0,0.0,
786,285.0756903027914,6.7712197,area,,,,160.0,,,,,,,0.0,1276515.4,0.0,0.0,0.0,0.0,0.0,1628959.6,0.0,0.0,
787,296.1256253913963,6.802165,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,227267.34,0.0,0.0,
788,435.07114257438496,7.012763,area,,,,,,,,,,,0.0,0.0,0.0,0.0,367635.62,0.0,0.0,0.0,0.0,0.0,
789,414.3365847092341,7.053999,area,,,,,,,,,,,0.0,0.0,108443.55,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
790,637.2182595072106,7.061381,area,,,,,,,,,,,0.0,0.0,0.0,0.0,134243.61,0.0,0.0,0.0,0.0,0.0,
791,265.10693944291705,7.105933,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,601651.9,0.0,
792,957.5051233673476,7.2208967,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,191092.95,0.0,0.0,
793,725.370588423093,7.3120403,area,,,,,,,,,,,0.0,0.0,0.0,81491.82,0.0,0.0,0.0,0.0,0.0,0.0,
794,212.1280830954982,7.3382215,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,170835.03,0.0,
795,485.3695338120013,7.4414806,area,,,,,,,,,,,102029.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
796,289.026139370156,7.4970307,area,,,,63.0,,,,,,,0.0,2266571.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
797,291.0231350202292,7.4970307,area,,,,63.0,,,,,,,0.0,703453.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
798,271.06001476168706,7.544863,area,,,,37.0,,,,,,,0.0,329813.3,0.0,450522.94,1911740.2,0.0,0.0,8859196.0,383529.66,0.0,
799,196.0336314973584,7.55079,area,,,,37.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,112215.336,0.0,0.0,
800,272.0633791354291,7.55079,area,,,,37.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1414981.8,0.0,0.0,
801,366.0056697452209,7.55079,area,,,,37.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,107963.53,0.0,0.0,
802,299.0912700352241,7.5641036,area,,,,150.0,,,,,,,0.0,0.0,0.0,0.0,1730517.9,0.0,0.0,0.0,0.0,0.0,
803,321.07319302202075,7.607593,area,,,,150.0,,,,,,,0.0,0.0,0.0,355714.0,247111.95,0.0,0.0,0.0,0.0,0.0,
804,301.0705682642628,7.631828,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221787.84,0.0,0.0,
805,319.0368945098625,7.6433043,area,,,,,,,,,,,0.0,141388.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
806,975.5153287474716,7.647876,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,134026.06,0.0,0.0,
807,619.1568775393844,7.6666884,area,,,,150.0,,,,,,,0.0,0.0,0.0,175728.19,0.0,0.0,0.0,0.0,0.0,0.0,
808,236.16217920022785,7.673634,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,135575.97,0.0,0.0,0.0,
809,250.11244689816976,7.6957273,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,104614.82,0.0,0.0,0.0,0.0,
810,299.0912808966144,7.7568398,area,,,,150.0,,,,,,,0.0,0.0,0.0,1048453.06,0.0,0.0,0.0,279586.06,0.0,0.0,
811,456.2960634182163,7.7587895,area,,,,191.0,,,,,,,0.0,0.0,0.0,0.0,0.0,182121.53,0.0,0.0,0.0,0.0,
812,461.2514736497407,7.7587895,area,,,,191.0,,,,,,,0.0,0.0,0.0,0.0,0.0,973090.5,0.0,0.0,0.0,0.0,
813,290.0480682662112,7.8028545,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,306794.7,0.0,
814,381.1309267739109,7.8827686,area,,,,112.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,260182.66,0.0,0.0,0.0,
815,397.10481064597,7.8827686,area,,,,112.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,192696.11,0.0,0.0,0.0,
816,512.3001842098995,7.904659,area,,,,189.0,,,,,,,681026.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
817,534.282085108782,7.904659,area,,,,189.0,,,,,,,160473.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
818,241.1047837099873,7.981749,area,,,,,,,,,,,0.0,119964.266,180134.77,0.0,0.0,189309.45,0.0,0.0,0.0,0.0,
819,398.341939126504,8.029599,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,1214830.2,964732.8,0.0,0.0,0.0,
820,362.2688158088124,8.096008,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,518085.34,0.0,0.0,
821,941.5098157801548,8.177737,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,100110.15,0.0,0.0,
822,269.08065809169346,8.196158,area,,,,161.0,,,,,,,0.0,0.0,0.0,1290007.6,2505143.0,0.0,0.0,665852.56,0.0,0.0,
823,291.06259062908566,8.196158,area,,,,161.0,,,,,,,0.0,0.0,0.0,359282.75,432569.47,0.0,0.0,221043.61,0.0,0.0,
824,959.5199170108892,8.211464,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,639613.9,0.0,0.0,
825,456.2961244827789,8.25674,area,,,,57.0,,,,,,,0.0,0.0,0.0,0.0,0.0,191460.9,0.0,0.0,0.0,0.0,
826,508.273196340058,8.25674,area,,,,57.0,,,,,,,0.0,0.0,0.0,0.0,0.0,515746.9,0.0,0.0,0.0,0.0,
827,305.02106049542647,8.290547,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,129454.11,
828,461.2509983667591,8.291775,area,,,,57.0,,,,,,,0.0,0.0,0.0,95425.734,0.0,1816754.6,0.0,0.0,0.0,0.0,
829,635.4147090273183,8.340765,area,,,,74.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,108441.15,0.0,0.0,
830,781.4731483372441,8.340765,area,,,,74.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,172276.42,0.0,0.0,
831,930.5432148188522,8.340765,area,,,,74.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,296026.0,0.0,0.0,
832,519.7388765278088,8.357931,area,,,,82.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,121251.305,0.0,0.0,
833,182.98507277677837,8.358721,area,,,,,,,,,,,0.0,0.0,0.0,0.0,67975.78,0.0,0.0,0.0,0.0,0.0,
834,511.7527014970733,8.373374,area,,,,82.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,171548.08,0.0,0.0,
835,943.5248319608,8.373374,area,,,,82.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8344113.5,0.0,0.0,
837,965.507264579332,8.413536,area,,,,82.0,,,,,,,0.0,0.0,0.0,0.0,158949.95,0.0,0.0,465648.28,0.0,0.0,
838,228.1958348495089,8.427805,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,390203.38,0.0,0.0,0.0,
839,223.063668656318,8.437436,area,,,,,,,,,,,0.0,188749.6,173645.0,0.0,173001.23,197725.48,0.0,250373.69,235083.86,512821.34,
840,158.15395326113557,8.452183,area,,,,,,,,,,,0.0,311510.1,0.0,0.0,335309.1,0.0,0.0,0.0,0.0,0.0,
841,526.3146651283066,8.5286045,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,142852.83,0.0,0.0,0.0,0.0,
842,935.4967262826632,8.601429,area,,,,199.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,188371.3,0.0,0.0,
844,211.0866502338031,8.636569,area,,,,,,,,,,,0.0,0.0,122872.93,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
843,913.514914830994,8.638222,area,,,,199.0,,,,,,,0.0,0.0,0.0,0.0,446105.5,0.0,0.0,2955993.8,0.0,0.0,
845,510.2857158810585,8.690107,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,292022.7,0.0,0.0,0.0,0.0,
846,797.4684345592628,8.708962,area,,,,,,,,,,,0.0,981940.2,0.0,0.0,197631.17,0.0,0.0,0.0,0.0,533388.94,
847,819.450508731709,8.718657,area,,,,,,,,,,,0.0,279473.62,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
848,543.1857788154492,8.722945,area,,,,120.0,,,,,,,0.0,0.0,0.0,0.0,454230.72,0.0,0.0,0.0,0.0,0.0,
849,717.1895313784435,8.723234,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148343.72,203964.12,
850,565.1677485276153,8.738541,area,,,,120.0,,,,,,,0.0,0.0,0.0,0.0,185168.11,0.0,0.0,0.0,0.0,0.0,
851,315.0862620479669,8.765246,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,302289.12,0.0,0.0,
852,329.1728248381876,8.769444,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,130234.05,0.0,0.0,0.0,0.0,
853,475.2694195050264,8.769444,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,134159.55,0.0,0.0,0.0,0.0,
854,276.1937277629439,8.800356,area,,,,117.0,,,,,,,0.0,0.0,0.0,0.0,0.0,118989.125,0.0,0.0,0.0,0.0,
855,941.509880663584,8.814852,area,,,,77.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,426102.84,0.0,0.0,
856,475.3035706056298,8.81598,area,,,,117.0,,,,,,,0.0,0.0,0.0,0.0,0.0,1069923.6,0.0,0.0,0.0,0.0,
857,966.5135227785144,8.830888,area,,,,77.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,160305.11,0.0,0.0,
858,767.4578360712112,8.853461,area,,,,101.0,,,,,,,0.0,782302.25,0.0,0.0,0.0,0.0,0.0,339343.7,0.0,240999.6,
859,789.4397454171936,8.879805,area,,,,101.0,,,,,,,0.0,185426.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
860,272.25840348154617,8.906978,area,,,,,,,,,,,0.0,160839.45,170659.05,0.0,132134.66,0.0,354648.44,154420.53,0.0,246780.98,
861,409.1621985302269,8.991372,area,,,,179.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,184319.75,0.0,0.0,0.0,
862,425.1361641456272,8.991372,area,,,,179.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,164971.17,0.0,0.0,0.0,
863,338.9821296921123,8.991592,area,,,,131.0,,,,,,,0.0,181852.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
864,265.1039058328068,9.0092945,area,,,,131.0,,,,,,,0.0,141938.88,0.0,0.0,106050.61,0.0,0.0,0.0,0.0,0.0,
866,546.34055102204,9.089725,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,120848.76,0.0,0.0,0.0,0.0,
867,291.1932309126447,9.219106,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,192103.66,0.0,0.0,0.0,0.0,
868,214.2529117258108,9.227785,area,,,,,,,,,,,0.0,0.0,671240.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
869,527.2979448190102,9.234689,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,193990.5,0.0,0.0,0.0,0.0,
870,461.25122884498205,9.249811,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,121068.24,0.0,0.0,0.0,0.0,
871,561.3401510294126,9.249811,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,159601.39,0.0,0.0,0.0,0.0,
872,357.26348693825764,9.258726,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,266028.6,0.0,0.0,218142.77,0.0,
873,339.2530623046486,9.265265,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,191316.77,0.0,0.0,0.0,0.0,
874,397.2562405650679,9.265265,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,345693.06,0.0,0.0,0.0,0.0,
875,619.381983409535,9.265265,area,,,,55.0,,,,,,,0.0,0.0,0.0,0.0,0.0,421036.97,0.0,0.0,0.0,0.0,
876,1477.0035738578638,9.2688875,area,,,,129.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,181108.19,0.0,
877,285.07572031423894,9.278349,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,540657.6,0.0,0.0,
878,613.3747147620094,9.278349,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,134064.6,0.0,0.0,
879,1476.8041024620638,9.28607,area,,,,129.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,215001.98,0.0,
880,598.8662426641367,9.472899,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1123292.9,0.0,0.0,
881,608.3527547971868,9.472899,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,692467.56,0.0,0.0,
882,597.3617658205029,9.488644,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16024291.0,0.0,0.0,
883,1193.717502270861,9.488644,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6637710.0,0.0,0.0,
884,1196.7275257174144,9.488644,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,422086.5,0.0,0.0,
885,590.3540271623941,9.504166,area,,,,53.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,193735.36,0.0,0.0,
886,344.25810117059143,9.52003,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,414661.97,0.0,0.0,
887,398.2415946657161,9.538256,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,168975.06,0.0,0.0,0.0,0.0,
888,596.3544448495173,9.5511,area,,,,113.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4318825.0,0.0,0.0,
889,596.8560021235246,9.5511,area,,,,113.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3259655.0,0.0,0.0,
890,1191.702947441397,9.566935,area,,,,113.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2347587.0,0.0,0.0,
891,1192.706227993651,9.566935,area,,,,113.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1680242.4,0.0,0.0,
892,480.2748695184141,9.601809,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,182231.92,0.0,0.0,0.0,0.0,
893,468.2723257042192,9.633607,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,129154.38,0.0,0.0,0.0,0.0,
894,502.2794297793192,9.715294,area,,,,,,,,,,,196243.27,0.0,0.0,0.0,262279.56,0.0,0.0,0.0,0.0,0.0,
895,458.2533417810933,9.724997,area,,,,,,,,,,,0.0,0.0,0.0,0.0,121368.94,0.0,0.0,0.0,0.0,0.0,
896,615.3606354743673,9.725948,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,637450.94,0.0,0.0,
897,1402.3902928437135,9.725948,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,109285.5,0.0,0.0,
898,648.3293371460488,9.741097,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,150277.55,0.0,0.0,
899,1276.6811040941864,9.741097,area,,,,13.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,624061.1,0.0,0.0,
900,1295.656071226646,9.741097,area,,,,13.0,85.0,[M+Na]+,,3.0,907;900;903,1272.66669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,578752.06,0.0,0.0,
901,656.3137468571667,9.755947,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,266703.2,0.0,0.0,
902,664.3000693465818,9.755947,area,,,,13.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,508507.16,0.0,0.0,
903,1273.6740566444653,9.755947,area,,,,13.0,85.0,[M+H]+,,2.0,900;903,1272.66669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6167730.0,0.0,0.0,
904,555.3169226843355,9.76792,area,,,,,,,,,,,0.0,0.0,206890.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
905,846.4423438240368,9.768714,area,,,,3.0,88.0,[2M+NH4]+,MS/MS verified: xmer,2.0,905;906,414.20405,1524524.9,0.0,851482.4,0.0,1362519.6,516369.78,0.0,4539474.0,3542864.8,4069470.5,
906,415.2111755245826,9.7706375,area,,,,3.0,88.0,[M+H]+,,5.0,908;905;915;912;906,414.20405,2202336.2,1344802.8,2196342.8,886487.7,3271281.2,1724840.0,0.0,11631593.0,12603133.0,19615760.0,
907,637.3404918316073,9.771413,area,,,,13.0,85.0,[M+2H]+2,,2.0,907;900,1272.66669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1445289.0,0.0,0.0,
908,432.2376555594395,9.772289,area,,,,3.0,88.0,[M+NH4]+,,4.0,908;915;912;906,414.20405,2331710.5,1021693.44,1690984.8,1020432.0,2138653.0,1239925.6,0.0,5664467.0,5922094.5,3484632.5,
909,434.1845417688758,9.774185,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,734773.06,
910,499.1636587467737,9.774185,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,297627.4,
911,849.4516011448503,9.774185,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,140512.69,
912,851.3976131852527,9.774282,area,,,,3.0,88.0,[2M+Na]+,MS/MS verified: xmer,4.0,908;919;912;906,414.20405,1384519.8,370192.8,1420136.2,447303.47,1067998.6,1714787.0,0.0,2109515.2,2426724.5,3442316.0,
913,460.2690104358057,9.776059,area,,,,,,,,,,,600475.25,329227.47,629721.44,463182.6,503110.03,792671.5,0.0,0.0,0.0,0.0,
914,281.1381690987011,9.776122,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,236159.72,256143.81,376415.75,
915,867.371402020714,9.777685,area,,,,3.0,88.0,[2M+K]+,MS/MS verified: xmer,3.0,908;915;906,414.20405,752660.5,256881.89,578836.4,284468.6,401619.47,722094.6,0.0,539675.56,1098508.9,1660885.0,
916,437.1931180046004,9.783684,area,,,,155.0,,,,,,,2080263.8,1448924.5,2498826.2,1472542.8,1858482.1,3472942.8,884680.0,2215946.5,3009239.0,3865258.2,
917,416.2147532434371,9.786294,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3058903.2,0.0,0.0,
918,255.5820326691908,9.786346,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123015.86,309393.3,
919,397.2007139584989,9.789166,area,,,,3.0,88.0,[M-H2O+H]+,MS/MS verified: nloss,2.0,912;919,414.20405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,213527.92,
920,426.19596524615054,9.789166,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,267579.4,
921,442.1708950518101,9.789166,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328751.88,
922,531.2737019945384,9.791323,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,200352.67,264247.4,923259.25,
923,439.1995157253692,9.792842,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,91247.09,0.0,0.0,0.0,0.0,
924,515.1359302009578,9.793837,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97949.766,142378.28,
925,247.59592445971109,9.804038,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,880827.7,
926,453.1670904329496,9.808648,area,,,,155.0,,,,,,,681120.06,527726.75,623178.6,464349.03,518400.12,805721.1,775299.25,371303.34,883187.06,1472026.2,
927,603.8637474930263,9.8160305,area,,,,133.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4794999.0,0.0,0.0,
928,235.06881979906208,9.819335,area,,,,3.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,222390.25,
930,603.362262791613,9.831497,area,,,,133.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6823847.5,0.0,0.0,
931,1271.658934101813,9.846384,area,,,,50.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,433106.1,0.0,0.0,
932,1272.6619449114903,9.846384,area,,,,50.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,300349.72,0.0,0.0,
933,387.253101739062,9.854669,area,,,,109.0,95.0,[M-H2O+H]+,MS/MS verified: nloss,3.0,933;938;937,404.25645,0.0,0.0,0.0,0.0,0.0,211244.73,0.0,0.0,0.0,0.0,
934,590.3148889020331,9.854669,area,,,,109.0,,,,,,,0.0,0.0,0.0,0.0,0.0,188706.81,0.0,0.0,0.0,0.0,
935,758.469435658343,9.854669,area,,,,172.0,,,,,,,0.0,0.0,0.0,0.0,0.0,158087.45,0.0,0.0,0.0,0.0,
936,763.4247245861778,9.854669,area,,,,172.0,,,,,,,0.0,0.0,0.0,0.0,0.0,168835.0,0.0,0.0,0.0,0.0,
937,422.2903342504855,9.869651,area,,,,109.0,95.0,[M+NH4]+,,3.0,933;938;937,404.25645,0.0,0.0,0.0,0.0,0.0,353527.94,0.0,0.0,0.0,0.0,
938,427.24567796510496,9.869651,area,,,,109.0,95.0,[M+Na]+,,3.0,933;938;937,404.25645,0.0,0.0,0.0,0.0,0.0,1639258.4,0.0,0.0,0.0,0.0,
939,459.308625131355,9.932218,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,306526.0,0.0,0.0,0.0,0.0,
940,650.4257090615093,9.9409,area,,,,100.0,98.0,[M+NH4]+,,3.0,940;941;942,632.39183,0.0,0.0,0.0,0.0,0.0,0.0,0.0,273709.53,0.0,0.0,
941,615.3885064313,9.955829,area,,,,100.0,98.0,[M-H2O+H]+,,2.0,940;941,632.39183,0.0,0.0,0.0,0.0,0.0,0.0,0.0,188690.33,0.0,0.0,
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1189,874.5891355443572,14.792525,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,1308228.4,0.0,0.0,0.0,0.0,
1190,480.4256002659882,14.799221,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,140126.78,128076.7,0.0,
1191,669.4697054990995,14.815607,area,,,,,,,,,,,0.0,151745.88,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1193,803.5427057508734,14.829321,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,600979.9,0.0,0.0,0.0,
1198,393.2974271311349,14.837382,area,,,,11.0,158.0,[M+Na]+,,2.0,1198;1211,370.30826,0.0,0.0,0.0,0.0,0.0,1264756.6,1118029.9,0.0,0.0,15922717.0,
1194,423.32556572749706,14.839007,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,196357.67,195528.48,0.0,
1195,413.265989143201,14.841261,area,,,,11.0,,,,,,,100657.695,255903.6,361386.7,0.0,0.0,0.0,1647833.5,472829.84,599577.7,1465485.5,
1197,392.287535385912,14.85189,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,490762.62,0.0,0.0,898655.2,
1200,259.19027684712825,14.859855,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,552945.2,
1201,409.271349487187,14.859855,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,144751.03,
1202,783.5747481419788,14.864715,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,552777.6,0.0,222925.7,1612258.6,
1203,394.3007522412792,14.866905,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,235637.64,204397.0,257141.98,0.0,
1204,763.6060438165758,14.867592,area,,,,11.0,158.0,[2M+Na]+,MS/MS verified: xmer,2.0,1211;1204,370.30826,0.0,0.0,0.0,0.0,0.0,289223.1,0.0,0.0,171926.89,5504708.0,
1196,391.2840819834868,14.8687935,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,1976940.9,2333165.8,2369573.8,2791914.2,
1205,893.5592631663459,14.870416,area,,,,69.0,,,,,,,0.0,0.0,0.0,0.0,3853891.8,0.0,7961923.5,0.0,0.0,0.0,
1206,888.6040009799901,14.878141,area,,,,69.0,,,,,,,0.0,0.0,0.0,0.0,9513489.0,0.0,15289887.0,0.0,0.0,0.0,
1207,891.6131734070434,14.878141,area,,,,69.0,,,,,,,0.0,0.0,0.0,0.0,329864.56,0.0,515939.25,0.0,0.0,0.0,
1211,388.3419675256885,14.882131,area,,,,11.0,158.0,[M+NH4]+,,3.0,1198;1211;1204,370.30826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,723349.25,776714.06,2189596.0,
1199,371.31531297446986,14.882263,area,,,,70.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3584674.8,0.0,0.0,
1208,892.6159894699703,14.8826,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,136215.03,0.0,0.0,0.0,0.0,
1209,915.6238532681124,14.8826,area,,,,144.0,,,,,,,0.0,0.0,0.0,0.0,0.0,339086.66,0.0,0.0,0.0,0.0,
1210,1813.185082470958,14.8826,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,172856.45,0.0,0.0,0.0,0.0,
1212,500.3943817956434,14.885697,area,,,,70.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,272050.1,375496.16,0.0,
1213,425.3047453341881,14.885837,area,,,,70.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115702.24,134172.3,0.0,
1214,914.6203146486122,14.889633,area,,,,,,,,,,,0.0,0.0,0.0,0.0,383552.9,625178.9,160718.31,0.0,0.0,0.0,
1215,446.3627310499277,14.890671,area,,,,11.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1066892.0,
1216,439.3203422398847,14.893327,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239410.58,230829.52,0.0,
1217,804.5337287692214,14.897178,area,,,,,,,,,,,0.0,0.0,0.0,0.0,263974.47,0.0,0.0,0.0,0.0,0.0,
1218,771.5053828290648,14.8977165,area,,,,54.0,,,,,,,0.0,0.0,0.0,0.0,0.0,542941.2,0.0,0.0,0.0,0.0,
1219,821.5412488477775,14.8977165,area,,,,54.0,,,,,,,0.0,0.0,0.0,0.0,0.0,209404.11,0.0,0.0,0.0,0.0,
1220,918.6443668891236,14.8977165,area,,,,144.0,,,,,,,0.0,0.0,0.0,0.0,0.0,235901.28,0.0,0.0,0.0,0.0,
1221,423.251560297926,14.906418,area,,,,187.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,147160.4,
1222,916.6346706083766,14.916572,area,,,,144.0,,,,,,,0.0,0.0,0.0,0.0,0.0,2073361.9,103569.37,0.0,0.0,0.0,
1223,687.4098180503222,14.919598,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,286938.38,272551.6,0.0,0.0,0.0,0.0,
1224,719.4361148405817,14.919598,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,666264.9,707497.75,0.0,0.0,0.0,0.0,
1225,412.3785267898828,14.921293,area,,,,187.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,226361.3,
1226,671.4852423568942,14.926745,area,,,,44.0,,,,,,,0.0,604581.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1227,673.5009367751188,14.926745,area,,,,44.0,,,,,,,0.0,494124.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1228,674.5044837539779,14.926745,area,,,,44.0,,,,,,,0.0,198688.73,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1229,643.4199801176974,14.926867,area,,,,,,,,,,,0.0,0.0,0.0,0.0,184205.17,342929.62,0.0,0.0,0.0,0.0,
1230,835.5562769981634,14.931198,area,,,,54.0,,,,,,,0.0,0.0,0.0,135420.84,107518.74,781550.6,0.0,0.0,0.0,0.0,
1231,803.530522230194,14.932255,area,,,,54.0,,,,,,,0.0,0.0,0.0,550621.2,569162.1,2598186.0,290079.22,0.0,0.0,0.0,
1232,948.718834475864,14.936026,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,112222.61,0.0,
1233,769.4735336215634,14.942018,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,0.0,173472.17,0.0,0.0,0.0,0.0,
1234,675.4464097634637,14.945965,area,,,,54.0,,,,,,,0.0,0.0,0.0,133825.67,274972.2,817579.06,0.0,0.0,0.0,0.0,
1235,751.4625038342679,14.945965,area,,,,108.0,,,,,,,0.0,0.0,0.0,310819.25,1202794.6,1552148.6,0.0,0.0,0.0,0.0,
1236,779.2310802565474,14.948547,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,286160.25,327095.8,0.0,
1237,958.6086826685188,14.948861,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,643242.44,365545.66,0.0,0.0,0.0,0.0,
1238,847.5204675128905,14.949147,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,285415.97,344977.4,0.0,0.0,0.0,0.0,
1239,879.5462681547657,14.95081,area,,,,108.0,,,,,,,0.0,0.0,0.0,293147.28,834227.0,1290449.2,0.0,0.0,0.0,0.0,
1240,666.530049128736,14.950945,area,,,,44.0,,,,,,,0.0,289388.9,0.0,0.0,0.0,0.0,0.0,162920.8,0.0,0.0,
1242,401.34119243624025,14.956081,area,,,,9.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,247631.28,282573.16,0.0,
1243,483.3443201705591,14.956081,area,,,,9.0,163.0,[M+Na]+,,3.0,1243;1244;1241,460.35539,0.0,0.0,0.0,0.0,0.0,0.0,0.0,182894.84,219223.56,0.0,
1244,904.6927826307824,14.956081,area,,,,9.0,163.0,[2M-NH3+H]+,MS/MS verified: nloss,3.0,1243;1244;1241,460.35539,0.0,0.0,0.0,0.0,0.0,0.0,0.0,210998.98,204008.19,0.0,
1241,478.3888685731406,14.963547,area,,,,9.0,163.0,[M+NH4]+,,3.0,1243;1244;1241,460.35539,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1148636.4,1298839.0,0.0,
1245,860.6670061890043,14.963547,area,,,,9.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,304176.44,297867.8,0.0,
1246,298.3103089982819,14.964684,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,334601.4,236135.6,558231.3,
1247,816.64074639108,14.971009,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,394199.75,382754.88,0.0,
1248,960.623691910439,14.971131,area,,,,108.0,,,,,,,0.0,0.0,0.0,0.0,0.0,646543.2,0.0,0.0,0.0,0.0,
1249,932.5934249335412,14.981011,area,,,,108.0,,,,,,,0.0,0.0,0.0,13513930.0,13189010.0,20089910.0,5692009.5,0.0,0.0,0.0,
1250,937.5487342151322,14.981011,area,,,,108.0,,,,,,,0.0,0.0,0.0,1436927.9,5609077.5,10779663.0,3020317.8,0.0,0.0,0.0,
1251,934.6000440468124,14.981776,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,949953.56,0.0,0.0,0.0,
1252,935.6027213970376,14.992629,area,,,,108.0,,,,,,,0.0,0.0,0.0,542726.94,518479.78,989012.44,204187.12,0.0,0.0,0.0,
1253,772.6146839541036,14.993804,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,492129.38,473063.38,0.0,
1254,728.5879697981043,15.008863,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,543118.9,541471.3,0.0,
1255,326.34173696617404,15.013846,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,171976.11,
1256,577.3201829652508,15.013846,area,,,,196.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,261810.03,
1257,936.6069799696542,15.015557,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,142496.27,0.0,0.0,0.0,0.0,
1258,684.5620795502454,15.016916,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,585067.9,577114.44,0.0,
1260,939.554498531886,15.0291605,area,,,,,,,,,,,0.0,0.0,0.0,225640.84,0.0,0.0,0.0,0.0,0.0,0.0,
1259,338.341779184131,15.030238,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1505248.5,
1261,437.2673176197941,15.030238,area,,,,196.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,145959.55,
1262,312.32601782638017,15.047925,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,182301.83,0.0,551116.2,0.0,0.0,
1263,640.5357140933587,15.048054,area,,,,118.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,556818.0,592027.06,0.0,
1265,946.6087946750954,15.052382,area,,,,,,,,,,,0.0,0.0,0.0,298535.2,152773.88,535502.9,0.0,0.0,0.0,0.0,
1266,488.3944410775445,15.0557,area,,,,118.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141598.7,179408.6,0.0,
1267,919.5385952235764,15.056339,area,,,,93.0,,,,,,,0.0,0.0,0.0,0.0,171996.11,229155.05,0.0,0.0,0.0,0.0,
1268,1865.1877455607648,15.059979,area,,,,,,,,,,,0.0,0.0,0.0,318391.88,0.0,0.0,0.0,0.0,0.0,0.0,
1269,441.29770319781335,15.062207,area,,,,136.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,208945.66,
1270,966.6969290538132,15.062207,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,160524.4,
1271,528.4257373937232,15.06341,area,,,,10.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,204185.12,260565.66,0.0,
1272,596.5094472473011,15.06341,area,,,,10.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,541821.2,531052.6,0.0,
1273,419.3154680806096,15.072951,area,,,,136.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,571844.2,647541.8,646658.44,
1274,552.48310293738,15.086435,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,448834.38,490808.3,0.0,
1275,930.6511016760207,15.090585,area,,,,93.0,,,,,,,0.0,0.0,0.0,0.0,0.0,121597.95,0.0,0.0,0.0,0.0,
1276,670.46803053607,15.093451,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,156109.06,
1277,914.5827884493118,15.098881,area,,,,93.0,,,,,,,0.0,0.0,0.0,374472.4,401758.38,480743.56,0.0,0.0,0.0,0.0,
1278,875.5492244331111,15.106021,area,,,,93.0,,,,,,,0.0,0.0,0.0,0.0,0.0,202595.25,0.0,0.0,0.0,0.0,
1279,902.6191307843236,15.106719,area,,,,,,,,,,,0.0,0.0,0.0,170293.66,0.0,0.0,0.0,0.0,0.0,0.0,
1280,508.4569087324113,15.111191,area,,,,94.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390805.0,404138.28,0.0,
1281,284.29474184968694,15.115354,area,,,,94.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,779361.5,813296.6,101897.32,
1282,974.6405375948518,15.118607,area,,,,,,,,,,,0.0,0.0,0.0,0.0,169240.66,339164.28,0.0,0.0,0.0,0.0,
1283,979.5961980224836,15.121612,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,223662.88,0.0,0.0,0.0,0.0,
1284,870.5933439785457,15.137628,area,,,,93.0,,,,,,,0.0,0.0,0.0,439927.56,0.0,386327.9,0.0,0.0,0.0,0.0,
1285,980.7129413435272,15.141011,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,178869.17,
1286,464.43072606166055,15.141749,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,294164.03,305115.38,0.0,
1287,714.5511450032427,15.157799,area,,,,,,,,,,,147504.27,288202.9,0.0,0.0,339928.72,0.0,0.0,1061671.2,0.0,0.0,
1288,648.5195164911502,15.160964,area,,,,97.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,204409.27,0.0,0.0,
1289,420.4046144602441,15.1731205,area,,,,97.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,181450.61,190718.67,0.0,
1290,340.3572502267225,15.1894,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190864.31,173809.69,0.0,
1293,655.4904754829932,15.2282295,area,,,,,,,,,,,0.0,0.0,0.0,0.0,199736.28,0.0,0.0,0.0,0.0,0.0,
1294,556.4577288747666,15.234653,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,187692.12,0.0,
1295,393.33908595078776,15.250023,area,,,,99.0,,,,,,,0.0,0.0,0.0,0.0,0.0,1351479.4,0.0,0.0,0.0,1009283.9,
1296,395.3498950532471,15.250707,area,,,,99.0,,,,,,,143811.4,0.0,0.0,0.0,0.0,1132263.9,0.0,0.0,0.0,4671552.0,
1297,764.6553543036225,15.253018,area,,,,99.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,151562.7,
1300,394.3465169152109,15.25949,area,,,,99.0,,,,,,,0.0,0.0,0.0,0.0,0.0,4190065.2,0.0,2850894.8,2837473.8,15724591.0,
1298,567.3611943215317,15.260601,area,,,,75.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,299956.5,281737.3,0.0,
1299,584.3875548738233,15.263003,area,,,,75.0,,,,,,,111196.18,0.0,0.0,0.0,0.0,0.0,0.0,725695.56,779929.6,0.0,
1301,585.3908095358511,15.268712,area,,,,75.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,232814.53,255796.73,0.0,
1304,1008.743283958825,15.284506,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,119060.24,
1306,780.5540932496481,15.294288,area,,,,,,,,,,,0.0,303195.88,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1308,469.3290268974341,15.295619,area,,,,162.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,168687.89,0.0,0.0,0.0,
1309,447.3467049654528,15.298823,area,,,,162.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,746213.5,212122.38,231721.7,557051.7,
1307,558.3431475306114,15.299296,area,,,,,,,,,,,555047.2,0.0,0.0,0.0,0.0,0.0,0.0,1953703.2,2218310.5,0.0,
1310,698.4988739912726,15.31536,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,162037.45,
1311,468.2928979027079,15.323072,area,,,,30.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1316068.6,1303483.4,0.0,
1313,960.623891374903,15.328747,area,,,,,,,,,,,0.0,0.0,0.0,766216.5,0.0,0.0,0.0,0.0,0.0,0.0,
1314,556.3275068109936,15.328985,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,154303.66,0.0,
1315,584.3417438587107,15.330319,area,,,,30.0,,,,,,,155929.39,0.0,0.0,0.0,0.0,0.0,0.0,570704.75,663711.56,0.0,
1312,583.3384094338579,15.33072,area,,,,30.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1561078.8,1762437.9,0.0,
1316,585.3384318407673,15.33072,area,,,,30.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,128732.695,144573.84,0.0,
1317,1022.7600177434643,15.364848,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,222101.17,
1318,916.6342276739138,15.376902,area,,,,,,,,,,,0.0,0.0,0.0,914210.1,0.0,0.0,0.0,0.0,0.0,0.0,
1320,536.1652038252511,15.42483,area,,,,,,,,,,,0.0,357895.3,0.0,0.0,527026.06,0.0,0.0,396834.72,572289.1,161613.36,
1323,652.5506222144996,15.462685,area,,,,195.0,,,,,,,0.0,0.0,0.0,140893.98,151677.66,0.0,0.0,369502.12,0.0,0.0,
1324,653.5533570263718,15.475283,area,,,,195.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,107721.31,0.0,0.0,
1325,782.569378970734,15.483943,area,,,,,,,,,,,0.0,2776164.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1326,673.5037456532458,15.489406,area,,,,184.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,139726.03,0.0,
1327,690.5303874911779,15.490156,area,,,,184.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,217166.02,291718.94,0.0,
1330,756.5540439601211,15.532331,area,,,,,,,,,,,0.0,113369.016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1333,1028.709100876977,15.606847,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,122860.484,
1334,720.5106623839672,15.607888,area,,,,28.0,,,,,,,0.0,0.0,95590.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1335,1343.9291555215011,15.607888,area,,,,,,,,,,,0.0,0.0,373594.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1336,623.4237297604358,15.618674,area,,,,62.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,263136.66,306101.75,0.0,
1337,640.4502443702004,15.618674,area,,,,62.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,557659.7,568637.7,0.0,
1338,641.4535265931288,15.618674,area,,,,62.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221643.14,221875.88,0.0,
1339,610.183871801807,15.62202,area,,,,,,,,,,,0.0,0.0,0.0,0.0,180691.72,0.0,0.0,137830.08,154516.06,0.0,
1340,706.4957007006004,15.635149,area,,,,28.0,,,,,,,0.0,320622.47,377981.38,0.0,318181.16,127183.2,104174.86,167370.03,154003.27,624492.44,
1341,722.5272239325884,15.638445,area,,,,28.0,,,,,,,0.0,0.0,92307.53,0.0,0.0,0.0,0.0,0.0,0.0,309771.78,
1342,685.4354707883539,15.652225,area,,,,28.0,178.0,[M+Na]+,,3.0,1343;1342;1352,662.44622,0.0,0.0,514644.16,0.0,168621.88,405448.03,286741.2,428489.25,543297.56,1142917.2,
1344,629.4563480013868,15.653858,area,,,,110.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,110286.54,
1345,1030.643714413895,15.653858,area,,,,110.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,455926.62,
1347,708.511644727409,15.656906,area,,,,185.0,,,,,,,0.0,0.0,0.0,0.0,0.0,330906.47,138477.61,0.0,0.0,0.0,
1349,765.5780829375414,15.664874,area,,,,185.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,118966.29,0.0,0.0,0.0,
1350,615.4087935270576,15.666256,area,,,,79.0,,,,,,,237481.66,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1351,736.5423554982414,15.666256,area,,,,79.0,,,,,,,140535.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1352,1342.926317141741,15.66744,area,,,,28.0,178.0,[2M+NH4]+,MS/MS verified: xmer,3.0,1342;1343;1352,662.44622,0.0,0.0,411511.4,0.0,0.0,0.0,0.0,242212.61,358554.7,576844.2,
1355,784.5850858543504,15.673011,area,,,,137.0,,,,,,,0.0,1014415.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1356,785.5885988926727,15.673011,area,,,,137.0,,,,,,,0.0,444299.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1343,663.453429485364,15.675212,area,,,,28.0,178.0,[M+H]+,,3.0,1342;1343;1352,662.44622,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4061564.2,6029737.0,
1354,614.4056606214435,15.675967,area,,,,28.0,,,,,,,603771.94,0.0,0.0,0.0,0.0,0.0,0.0,1980391.9,2191164.5,0.0,
1357,640.4040603767874,15.675967,area,,,,28.0,,,,,,,170857.33,0.0,0.0,0.0,0.0,0.0,0.0,565944.6,642377.25,0.0,
1358,616.4068528513162,15.680173,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,191772.67,0.0,0.0,
1360,612.3900467867445,15.680824,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113185.766,174245.22,0.0,
1353,639.4008689127982,15.680824,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1385868.2,1545682.9,0.0,
1361,641.4018241503311,15.680824,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148592.48,169079.4,0.0,
1362,682.4866662019399,15.681475,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,166077.22,0.0,
1363,788.5877226363807,15.681475,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,128177.94,0.0,
1346,680.4800837333878,15.68204,area,,,,28.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1542547.6,1740245.0,1200843.2,
1366,758.5696086130603,15.70532,area,,,,137.0,,,,,,,0.0,2554805.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1368,927.7483709384696,15.784158,area,,,,,,,,,,,0.0,153063.66,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1369,979.7226431853044,15.807549,area,,,,40.0,180.0,[M+H]+,,2.0,1370;1371,978.71532,0.0,0.0,0.0,0.0,0.0,0.0,0.0,158227.98,181660.2,0.0,
1370,996.7493027306472,15.807549,area,,,,40.0,180.0,[M+NH4]+,,3.0,1369;1370;1371,978.71532,0.0,0.0,0.0,0.0,0.0,0.0,0.0,743219.1,840716.9,0.0,
1371,1001.7043179499924,15.823532,area,,,,40.0,180.0,[M+Na]+,,3.0,1369;1370;1371,978.71532,0.0,0.0,0.0,0.0,0.0,0.0,0.0,115815.234,125432.74,0.0,
1373,596.5247793605859,15.840188,area,,,,182.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,427976.56,0.0,
1374,715.5643160565082,15.856634,area,,,,182.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,220427.48,0.0,
1375,589.4800332662593,15.887995,area,,,,64.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,180840.19,0.0,
1376,584.5246072811383,15.903953,area,,,,64.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,545726.4,0.0,
1377,748.5933730255911,15.903953,area,,,,64.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,368291.7,0.0,
1378,413.37765580717627,15.922773,area,,,,,,,,,,,133226.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1379,811.7579893951417,15.934904,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,204503.56,0.0,0.0,
1380,928.759963404921,15.939898,area,,,,85.0,,,,,,,0.0,427491.12,0.0,0.0,133464.67,0.0,0.0,0.0,0.0,0.0,
1381,697.4800070605079,15.942785,area,,,,85.0,,,,,,,0.0,118223.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1382,816.6557237338368,15.9513855,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,128572.48,0.0,0.0,
1383,682.5766209270132,15.952858,area,,,,,,,,,,,111009.3,0.0,0.0,0.0,0.0,0.0,0.0,400692.78,408755.8,0.0,
1384,615.4957694133949,15.968447,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,107493.57,0.0,
1387,537.5353123839888,15.992514,area,,,,134.0,,,,,,,0.0,189152.1,0.0,0.0,326600.78,0.0,195659.6,0.0,0.0,534627.9,
1390,786.6008246031786,16.00527,area,,,,,,,,,,,0.0,847340.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1391,563.5031548564784,16.032461,area,,,,42.0,187.0,[M-H2O+H]+,,2.0,1391;1400,580.50685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362312.75,0.0,
1392,762.6091529914278,16.032461,area,,,,42.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,379534.03,0.0,
1393,1179.0488318718171,16.04835,area,,,,42.0,187.0,[2M+NH4]+,MS/MS verified: xmer,2.0,1393;1398,580.50685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136754.44,0.0,
1394,1184.003892411858,16.04835,area,,,,42.0,187.0,[2M+Na]+,MS/MS verified: xmer,2.0,1400;1394,580.50685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,301921.84,0.0,
1395,559.5174328301255,16.055494,area,,,,134.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,156571.48,
1396,591.4950946791364,16.057156,area,,,,,,,,,,,0.0,0.0,315738.72,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1397,663.5312925345731,16.06077,area,,,,,,,,,,,0.0,0.0,0.0,104212.34,0.0,0.0,0.0,0.0,0.0,0.0,
1398,603.4956544388879,16.064285,area,,,,42.0,187.0,[M+Na]+,,3.0,1393;1398;1400,580.50685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,856721.1,0.0,
1399,609.5449301491526,16.069044,area,,,,128.0,190.0,[M-H2O+H]+,MS/MS verified: nloss,3.0,1402;1410;1399,626.5483,0.0,865938.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1400,598.5403709285113,16.072166,area,,,,42.0,187.0,[M+NH4]+,,4.0,1398;1391;1400;1394,580.50685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,170525.94,2438080.2,0.0,
1401,548.5035572865368,16.073933,area,,,,123.0,,,,,,,0.0,177967.83,911923.06,0.0,340814.62,381142.25,0.0,137325.94,0.0,2755644.5,
1402,1276.0861153678866,16.084686,area,,,,128.0,190.0,[2M+Na]+,MS/MS verified: xmer,2.0,1402;1399,626.5483,0.0,104301.055,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1403,654.6025963735254,16.097301,area,,,,,,,,,,,0.0,0.0,0.0,0.0,712099.25,0.0,0.0,0.0,0.0,0.0,
1404,649.5373468282482,16.100029,area,,,,128.0,190.0,[M+Na]+,,2.0,1410;1404,626.5483,0.0,199897.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1405,684.5929318391354,16.111872,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136607.8,0.0,0.0,
1406,624.5558780012396,16.113148,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,248750.19,0.0,
1407,930.7752280596312,16.12997,area,,,,,,,,,,,0.0,0.0,0.0,0.0,95340.53,0.0,0.0,0.0,0.0,0.0,
1408,475.41449348494,16.134884,area,,,,123.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,134799.78,
1409,635.5221817992559,16.134884,area,,,,123.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209252.38,
1410,644.5822171742495,16.15023,area,,,,128.0,190.0,[M+NH4]+,,3.0,1404;1410;1399,626.5483,0.0,560238.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,145550.7,
1411,630.5659118857878,16.150703,area,,,,123.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,169648.17,
1412,577.5185360379013,16.17582,area,,,,7.0,196.0,[M-H2O+H]+,MS/MS verified: nloss,3.0,1416;1412;1417,594.52233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,519180.56,0.0,
1413,776.624790682319,16.17582,area,,,,7.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,130391.86,0.0,
1414,1207.0793515511384,16.17582,area,,,,7.0,196.0,[2M+NH4]+,,2.0,1414;1417,594.52233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,251394.36,0.0,
1415,1212.0343975593844,16.17582,area,,,,7.0,196.0,[2M+Na]+,MS/MS verified: xmer,2.0,1416;1415,594.52233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,486329.94,0.0,
1416,612.5561347069131,16.184029,area,,,,7.0,196.0,[M+NH4]+,,4.0,1416;1415;1412;1417,594.52233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,370056.94,3412324.8,0.0,
1417,617.511400954073,16.184029,area,,,,7.0,196.0,[M+Na]+,,4.0,1414;1416;1412;1417,594.52233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,213315.88,1326515.2,0.0,
1418,673.4801713752064,16.196323,area,,,,,,,,,,,0.0,141324.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1419,1186.019097058749,16.207613,area,,,,7.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,197834.2,0.0,
1420,591.4959689870118,16.220495,area,,,,7.0,,,,,,,0.0,0.0,0.0,0.0,0.0,255343.23,122363.37,0.0,166881.48,635011.9,
1421,586.5403750253672,16.227623,area,,,,7.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,230778.06,369605.16,
1422,1160.00434648401,16.230766,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,151572.84,0.0,0.0,0.0,210020.47,
1423,647.4584384801964,16.24676,area,,,,,,,,,,,0.0,173510.27,194103.64,0.0,250228.38,0.0,0.0,0.0,0.0,793932.6,
1424,551.5031175243948,16.247633,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,151055.98,
1426,506.4718193466806,16.263575,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,226819.19,
1427,638.5717855898666,16.273102,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97119.0,0.0,0.0,
1428,668.618456904167,16.27497,area,,,,,,,,,,,0.0,0.0,0.0,0.0,146852.19,0.0,0.0,0.0,0.0,0.0,
1429,565.5666649025528,16.317085,area,,,,,,,,,,,0.0,195194.52,0.0,0.0,340770.12,0.0,189342.02,0.0,0.0,521641.9,
1430,565.5186038389527,16.319542,area,,,,39.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,139913.34,0.0,
1431,591.5342346066373,16.319542,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,188073.69,0.0,
1432,676.5850966966406,16.320747,area,,,,102.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,440560.22,0.0,0.0,
1433,619.5264947859304,16.330982,area,,,,,,,,,,,0.0,0.0,223169.88,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1435,626.5716408015104,16.351238,area,,,,39.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1614037.2,0.0,
1436,631.5269165181998,16.351238,area,,,,39.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,702678.0,0.0,
1437,1209.0946957685712,16.351238,area,,,,39.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,120651.93,0.0,
1438,600.5559793484733,16.366983,area,,,,39.0,204.0,[M+NH4]+,,3.0,1438;1439;1440,582.52244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,726808.1,0.0,
1439,1188.034883823506,16.366983,area,,,,39.0,204.0,[2M+Na]+,MS/MS verified: xmer,2.0,1438;1439,582.52244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,182299.55,0.0,
1440,605.5115357980126,16.368164,area,,,,39.0,204.0,[M+Na]+,,2.0,1438;1440,582.52244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,123961.38,645516.25,0.0,
1441,654.602700968097,16.379902,area,,,,102.0,,,,,,,0.0,0.0,0.0,257377.33,0.0,0.0,0.0,2289816.8,0.0,0.0,
1442,587.5489537025809,16.389107,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,115120.62,0.0,0.0,0.0,
1443,750.6395499965065,16.392391,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,219175.48,192247.86,0.0,
1444,577.5157786258899,16.411015,area,,,,,,,,,,,0.0,0.0,176915.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1446,682.6343876215353,16.436756,area,,,,119.0,,,,,,,0.0,0.0,0.0,0.0,675126.0,0.0,0.0,0.0,0.0,0.0,
1447,704.6160949882536,16.436756,area,,,,119.0,,,,,,,0.0,0.0,0.0,0.0,157349.66,0.0,0.0,0.0,0.0,0.0,
1448,633.5420348731512,16.491585,area,,,,,,,,,,,0.0,0.0,129249.516,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1449,579.5343124898897,16.494984,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,399659.66,0.0,
1450,640.5874910949103,16.494984,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,215457.64,0.0,
1453,638.6081038139024,16.51513,area,,,,104.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136195.19,0.0,0.0,
1454,668.618564405976,16.51513,area,,,,104.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,522898.44,0.0,0.0,
1455,480.513673003908,16.517466,area,,,,,,,,,,,735913.0,0.0,0.0,133929.61,0.0,0.0,0.0,176998.77,125174.516,1522228.0,
1456,1211.1106048102697,16.526543,area,,,,86.0,209.0,[2M+NH4]+,MS/MS verified: xmer,2.0,1456;1463,596.53823,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,444500.03,0.0,
1457,918.723625258892,16.549076,area,,,,49.0,,,,,,,0.0,110504.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1458,1216.066229962075,16.561253,area,,,,86.0,209.0,[2M+Na]+,MS/MS verified: xmer,2.0,1464;1458,596.53823,0.0,0.0,0.0,0.0,0.0,168167.58,0.0,0.0,915054.8,239276.7,
1459,656.6185510449894,16.564077,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,218311.14,0.0,0.0,
1460,824.7703116279262,16.564077,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,218493.62,0.0,0.0,
1461,912.76499640248,16.56474,area,,,,49.0,,,,,,,0.0,357537.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1462,917.7202337904052,16.56474,area,,,,49.0,,,,,,,0.0,217786.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1463,619.5272874363694,16.56581,area,,,,86.0,209.0,[M+Na]+,,3.0,1456;1464;1463,596.53823,0.0,0.0,0.0,0.0,0.0,320942.8,210276.94,203235.47,1435379.6,821910.56,
1464,614.5717721346934,16.580555,area,,,,86.0,209.0,[M+NH4]+,,3.0,1464;1463;1458,596.53823,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1779240.6,349147.03,
1465,707.5219477225627,16.613121,area,,,,,,,,,,,0.0,537674.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1466,628.5870616958691,16.617615,area,,,,27.0,219.0,[M+NH4]+,,3.0,1466;1477;1467,610.55346,0.0,187418.22,0.0,0.0,0.0,0.0,0.0,0.0,1532611.8,0.0,
1467,1244.0962804819478,16.617615,area,,,,27.0,219.0,[2M+Na]+,MS/MS verified: xmer,2.0,1466;1467,610.55346,0.0,190325.61,0.0,0.0,0.0,0.0,0.0,0.0,778626.0,0.0,
1468,537.5237437773573,16.622608,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,114606.85,0.0,
1469,1230.081022345664,16.622608,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97326.84,0.0,
1470,494.5295638133517,16.634565,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,271255.06,
1471,572.5610137916473,16.638563,area,,,,130.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,244570.22,0.0,
1472,577.5164106861771,16.638563,area,,,,130.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,351992.1,0.0,
1473,1188.0713273093695,16.638563,area,,,,130.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,206077.28,0.0,
1474,729.5038705553293,16.644869,area,,,,,,,,,,,0.0,94395.93,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1475,463.4481240217725,16.649525,area,,,,130.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,120037.75,198912.1,0.0,
1476,593.5496579352649,16.68595,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,283443.97,0.0,
1477,633.5426237899305,16.688995,area,,,,27.0,219.0,[M+Na]+,,3.0,1479;1466;1477,610.55346,0.0,289815.7,0.0,0.0,0.0,0.0,0.0,99541.164,1535277.2,184636.48,
1478,629.5905908687764,16.701881,area,,,,27.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,633406.06,0.0,
1479,1239.1411510729713,16.701881,area,,,,27.0,219.0,[2M+NH4]+,MS/MS verified: xmer,2.0,1479;1477,610.55346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,326338.0,0.0,
1480,704.6161991121241,16.709578,area,,,,158.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,671465.7,0.0,0.0,
1481,861.6582657602195,16.775545,area,,,,,,,,,,,0.0,0.0,0.0,0.0,97138.66,0.0,0.0,0.0,0.0,0.0,
1482,1202.0870566906444,16.782251,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,100782.84,0.0,
1486,682.6339942044672,16.795353,area,,,,158.0,,,,,,,0.0,0.0,0.0,270724.3,0.0,0.0,0.0,2189308.2,0.0,0.0,
1489,470.4355120502738,16.82997,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113366.99,0.0,
1490,551.539535747914,16.82997,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141151.89,0.0,
1491,530.5270263269509,16.843334,area,,,,151.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113172.555,
1492,591.5320674691548,16.845957,area,,,,60.0,222.0,[M+Na]+,,2.0,1494;1492,568.54314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,690559.1,0.0,
1493,1160.0765492693797,16.845957,area,,,,60.0,222.0,[2M+Na]+,MS/MS verified: xmer,2.0,1493;1494,568.54314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136306.5,0.0,
1494,586.576725678151,16.861965,area,,,,60.0,222.0,[M+NH4]+,,3.0,1493;1494;1492,568.54314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390638.9,0.0,
1495,592.5357183313246,16.861965,area,,,,60.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,264731.03,0.0,
1496,1216.1024058083278,16.861965,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,110626.164,0.0,
1497,508.5449515420594,16.874031,area,,,,151.0,,,,,,,1075133.9,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3374843.0,
1498,642.6029194891796,16.893929,area,,,,174.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,339998.97,0.0,
1501,914.7807991432998,16.936853,area,,,,,,,,,,,0.0,164287.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1503,696.6500264249431,16.951403,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,205466.4,0.0,0.0,
1504,673.5553863963239,16.963083,area,,,,68.0,228.0,[M+H]+,,3.0,1502;1507;1504,672.54805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,357070.75,337683.56,0.0,
1505,732.5912384728722,16.963083,area,,,,68.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146681.81,112487.12,0.0,
1506,696.5408841617052,16.967327,area,,,,68.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,237510.7,0.0,0.0,
1502,690.5819006207041,16.971046,area,,,,68.0,228.0,[M+NH4]+,,3.0,1502;1507;1504,672.54805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2646369.5,2836802.0,0.0,
1507,695.5371827097216,16.971046,area,,,,68.0,228.0,[M+Na]+,,3.0,1502;1507;1504,672.54805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,557002.75,543612.4,0.0,
1508,647.558498526443,16.990812,area,,,,174.0,,,,,,,0.0,0.0,0.0,0.0,0.0,112648.61,0.0,0.0,521743.16,222437.1,
1509,980.7541286004056,17.050034,area,,,,35.0,231.0,[M+NH4]+,,3.0,1510;1511;1509,962.72034,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1970602.4,2050371.1,0.0,
1511,963.7275995876388,17.057875,area,,,,35.0,231.0,[M+H]+,,3.0,1510;1511;1509,962.72034,0.0,0.0,0.0,0.0,0.0,0.0,0.0,692351.1,683604.56,0.0,
1510,985.7096087895296,17.057875,area,,,,35.0,231.0,[M+Na]+,,3.0,1510;1511;1509,962.72034,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1186511.6,1313365.2,0.0,
1512,600.5922916824323,17.069965,area,,,,35.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141838.98,0.0,
1513,605.5474987721909,17.069965,area,,,,35.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,426297.12,0.0,
1514,857.5155617954209,17.081488,area,,,,,,,,,,,0.0,89875.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1515,508.54436204677774,17.086308,area,,,,,,,,,,,0.0,0.0,0.0,176952.42,0.0,0.0,0.0,0.0,0.0,0.0,
1516,861.6578528398222,17.092957,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,174637.89,0.0,0.0,
1517,856.7023975355718,17.110004,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,154208.67,0.0,0.0,
1518,710.6657500824817,17.173872,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,113733.54,0.0,0.0,
1521,837.6585347137466,17.245506,area,,,,,,,,,,,0.0,0.0,0.0,0.0,122511.19,0.0,0.0,0.0,0.0,0.0,
1523,619.563489607668,17.298357,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,276081.3,0.0,
1524,789.6547629537223,17.307243,area,,,,,,,,,,,0.0,159818.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1525,536.5763234887212,17.358152,area,,,,,,,,,,,440822.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,400697.84,
1526,863.5259925495417,17.44097,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,205009.31,
1527,692.5974657965864,17.481579,area,,,,6.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1324816.1,1350575.0,0.0,
1528,694.6047076099751,17.481579,area,,,,6.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,132651.38,118297.08,0.0,
1529,697.5528088835626,17.48957,area,,,,6.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,269350.38,309395.84,0.0,
1531,671.5371078895794,17.5463,area,,,,142.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,246973.48,281307.66,0.0,
1530,666.581750188733,17.554314,area,,,,142.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1174857.8,1175343.2,0.0,
1532,877.5411844015249,17.568823,area,,,,140.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,436635.62,
1533,855.5592271212406,17.584698,area,,,,140.0,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,195298.23,
1534,837.6582093805873,17.647697,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,220392.34,0.0,0.0,
1535,1783.111762625727,17.697111,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,82410.61,
1539,685.5143640888539,17.983517,area,,,,,,,,,,,0.0,0.0,0.0,0.0,110791.22,0.0,0.0,0.0,0.0,0.0,
1543,699.5684681490458,18.215523,area,,,,5.0,241.0,[M+Na]+,,3.0,1542;1543;1544,676.57933,0.0,0.0,0.0,0.0,0.0,0.0,0.0,914537.8,1012838.7,0.0,
1542,694.6132300516776,18.223358,area,,,,5.0,241.0,[M+NH4]+,,3.0,1542;1543;1544,676.57933,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3104966.5,3184015.2,0.0,
1544,677.58661840609,18.23132,area,,,,5.0,241.0,[M+H]+,,2.0,1542;1543,676.57933,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148750.83,146761.78,0.0,
1545,905.5733414094212,18.374086,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,110756.945,
1546,897.5450434173079,18.553217,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,215685.22,
1551,457.27731520449896,18.986156,area,,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,79481.06,0.0,0.0,0.0,
nf_output/library_intermediate/ 0000755 0000000 0000000 00000000000 14622715723 016006 5 ustar root root nf_output/library_intermediate/merged_results.tsv 0000644 0000000 0000000 00000167220 14622715723 021600 0 ustar root root #Scan# SpectrumFile Annotation OrigAnnotation Protein dbIndex numMods matchOrientation startMass Charge MQScore p-value isDecoy StrictEnvelopeScore UnstrictEvelopeScore CompoundName Organism FileScanUniqueID FDR LibraryName mzErrorPPM LibMetaData Smiles Inchi LibSearchSharedPeaks Abundance ParentMassDiff SpecMZ ExactMass LibrarySpectrumID
169 spectra_filtered.mgf *..* :111 111 -1 0 150.0 1 0.993606 0 0 349.0 45080000.0 ReSpect:PM000934 L-Methionine M+H RESPECT temp/spectra_filtered.mgf169 -1 RESPECT.mgf 388.692 7 0 0.0583038 150.058 0 CCMSLIB00000208968
38 spectra_filtered.mgf *..* :120 3332 -1 0 156.077 1 0.990877 0 0 26790100.0 11980000.0 Histidine M+H GNPS-LIBRARY temp/spectra_filtered.mgf38 -1 GNPS-LIBRARY.mgf 1.85753 6 0 0.000289917 156.077 0 CCMSLIB00003740030
475 spectra_filtered.mgf *..* :1236 2120 -1 0 245.186 1 0.990821 0 0 13830300.0 13577000.0 Spectral Match to Ile-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf475 -1 GNPS-NIST14-MATCHES.mgf 0.435635 7 0 0.000106812 245.186 0 CCMSLIB00003136607
138 spectra_filtered.mgf *..* :15969 13896 -1 0 169.097 1 0.98837 0 0 148.443 4052000.0 pyridoxamine [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf138 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 5819.74 7 0 0.9841 170.081 0 CCMSLIB00012268209
786 spectra_filtered.mgf *..* :63808 63808 -1 0 285.076 1 0.986865 0 0 3220.0 1555000.0 Glycitein [M+H]+ BMDMS-NP temp/spectra_filtered.mgf786 -1 BMDMS-NP.mgf 0.963456 12 0 0.000274658 285.076 0 CCMSLIB00006418108
39 spectra_filtered.mgf *..* :122 3327 -1 0 175.119 1 0.983304 0 0 33363100.0 28130000.0 Arginine M+H GNPS-LIBRARY temp/spectra_filtered.mgf39 -1 GNPS-LIBRARY.mgf 0.609937 8 0 0.000106812 175.119 0 CCMSLIB00003740025
798 spectra_filtered.mgf *..* :4526 16525 -1 0 271.06 1 0.98223 0 0 224502000.0 5560000.0 Massbank:EQ326505 Genistein|5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one M+H MASSBANK temp/spectra_filtered.mgf798 -1 MASSBANK.mgf 0.0 13 0 0.0 271.06 0 CCMSLIB00005730077
244 spectra_filtered.mgf *..* :1493 52617 -1 0 184.06 1 0.982084 0 0 149.2 3584000.0 4-PYRIDOXIC ACID M+H MONA temp/spectra_filtered.mgf244 -1 MONA.mgf 2.15543 7 0 0.000396729 184.06 0 CCMSLIB00006681646
202 spectra_filtered.mgf *..* :1080 3334 -1 0 166.086 1 0.981728 0 0 4541190.0 51425000.0 Phenylalanine M+H GNPS-LIBRARY temp/spectra_filtered.mgf202 -1 GNPS-LIBRARY.mgf 1.19435 6 0 0.000198364 166.086 0 CCMSLIB00003740032
997 spectra_filtered.mgf *..* :270 1024 -1 0 399.251 1 0.981714 0 0 184510000.0 345500.0 MassbankEU:SM824402 Tri(butoxyethyl) phosphate|tris(2-butoxyethyl) phosphate [M+H]+ MASSBANKEU temp/spectra_filtered.mgf997 -1 MASSBANKEU.mgf 1.29943 13 0 0.000518799 399.25 0 CCMSLIB00000841631
328 spectra_filtered.mgf *..* :593 1752 -1 0 192.065 1 0.981045 0 0 3118890.0 3144000.0 Spectral Match to L-Kynurenine from NIST14 M+H-NH3 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf328 -1 GNPS-NIST14-MATCHES.mgf 3.65451 8 0 0.000701904 192.064 0 CCMSLIB00003136239
514 spectra_filtered.mgf *..* :1968 5165 -1 0 245.186 1 0.980219 0 0 4265660.0 5757900.0 Spectral Match to Ile-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf514 -1 GNPS-NIST14-MATCHES.mgf 0.435635 6 0 0.000106812 245.186 0 CCMSLIB00003139652
158 spectra_filtered.mgf *..* :5292 17291 -1 0 268.104 1 0.978385 0 0 204362000.0 10829000.0 Massbank:EQ330404 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol M+H MASSBANK temp/spectra_filtered.mgf158 -1 MASSBANK.mgf 0.341482 6 0 9.15527e-05 268.104 0 CCMSLIB00005730843
344 spectra_filtered.mgf *..* :12120 12566 -1 0 189.123 1 0.977179 0 0 2771660.0 1797600.0 Glycyl-L-leucine CollisionEnergy:102040 M+H BERKELEY-LAB temp/spectra_filtered.mgf344 -1 BERKELEY-LAB.mgf 1.61364 6 0 0.000305176 189.123 0 CCMSLIB00010114554
191 spectra_filtered.mgf *..* :734 3338 -1 0 182.081 1 0.977073 0 0 23540600.0 104330000.0 Tyrosine M+H GNPS-LIBRARY temp/spectra_filtered.mgf191 -1 GNPS-LIBRARY.mgf 0.586615 7 0 0.000106812 182.081 0 CCMSLIB00003740036
313 spectra_filtered.mgf *..* :156 1411 -1 0 227.103 1 0.974993 0 0 4851150.0 11431000.0 Spectral Match to PyroGlu-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf313 -1 GNPS-NIST14-MATCHES.mgf 1.74691 7 0 0.000396729 227.103 0 CCMSLIB00003135898
494 spectra_filtered.mgf *..* :9905 8580 -1 0 334.14 1 0.974887 0 0 221.141 2015300.0 Golotimod [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf494 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.365327 13 0 0.00012207 334.14 0 CCMSLIB00012260241
84 spectra_filtered.mgf *..* :1 12148 -1 0 166.054 1 0.971568 0 0 4525040.0 11163000.0 L-methionine sulfoxide M+H GNPS-LIBRARY temp/spectra_filtered.mgf84 -1 GNPS-LIBRARY.mgf 4.77831 7 0 0.000793457 166.053 0 CCMSLIB00010013002
45 spectra_filtered.mgf *..* :1249 50490 -1 0 189.16 1 0.968671 0 0 249.8 2256000.0 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE M+H MONA temp/spectra_filtered.mgf45 -1 MONA.mgf 1.61332 6 0 0.000305176 189.16 0 CCMSLIB00006679519
118 spectra_filtered.mgf *..* :22304 22750 -1 0 252.109 1 0.968497 0 0 22713800.0 659500.0 2'-deoxyadenosine CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf118 -1 BERKELEY-LAB.mgf 0.786819 6 0 0.000198364 252.109 0 CCMSLIB00010124740
838 spectra_filtered.mgf *..* :7434 6491 -1 0 228.198 1 0.968368 0 0 462.213 971800.0 Vitamin E acetate [M-H2O+2H]+2 CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf838 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 9.62877 10 0 0.00219727 228.196 0 CCMSLIB00012254879
1196 spectra_filtered.mgf *..* :18010 18456 -1 0 391.284 1 0.966927 0 0 84623800.0 5686000.0 DEHP CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf1196 -1 BERKELEY-LAB.mgf 0.23398 8 0 9.15527e-05 391.284 0 CCMSLIB00010120445
195 spectra_filtered.mgf *..* :7327 6398 -1 0 312.192 1 0.966872 0 0 296.014 1494900.0 Val-pro-pro [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf195 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 1.27078 6 0 0.000396729 312.192 0 CCMSLIB00012254535
710 spectra_filtered.mgf *..* :2041 4115 -1 0 213.16 1 0.96685 0 0 18493700.0 770800.0 Spectral Match to Val-Leu from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf710 -1 GNPS-NIST14-MATCHES.mgf 0.0 9 0 0.0 213.16 0 CCMSLIB00003138602
285 spectra_filtered.mgf *..* :7327 6398 -1 0 312.192 1 0.96448 0 0 296.014 654300.0 Val-pro-pro [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf285 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.879773 6 0 0.000274658 312.192 0 CCMSLIB00012254535
633 spectra_filtered.mgf *..* :20657 17934 -1 0 316.129 1 0.964329 0 0 503.107 1183400.0 Oglufanide [M-H2O+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf633 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.675746 14 0 0.000213623 316.129 0 CCMSLIB00012272247
81 spectra_filtered.mgf *..* :325 1513 -1 0 176.103 1 0.961891 0 0 1591700.0 40628000.0 Spectral Match to L-Citrulline from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf81 -1 GNPS-NIST14-MATCHES.mgf 0.519882 6 0 9.15527e-05 176.103 0 CCMSLIB00003136000
321 spectra_filtered.mgf *..* :4816 4816 -1 0 220.118 1 0.960505 0 0 5859190.0 2470000.0 D-PANTOTHENIC ACID - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf321 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 0.415926 10 0 9.15527e-05 220.118 0 CCMSLIB00006120813
230 spectra_filtered.mgf *..* :153 3643 -1 0 165.051 1 0.959863 0 0 2051810.0 29220000.0 Spectral Match to L-Tyrosine from NIST14 M+H-NH3 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf230 -1 GNPS-NIST14-MATCHES.mgf 21.8179 6 0 0.00360107 165.055 0 CCMSLIB00003138130
330 spectra_filtered.mgf *..* :834 254 -1 0 279.134 1 0.959562 0 0 20397800.0 765000.0 Spectral Match to Tyr-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf330 -1 GNPS-NIST14-MATCHES.mgf 0.765306 7 0 0.000213623 279.134 0 CCMSLIB00003134740
906 spectra_filtered.mgf *..* :34 145 -1 0 415.282 1 0.959125 0 0 5127390.0 88490000.0 DEOXYCHOLATE M+Na GNPS-MSMLS temp/spectra_filtered.mgf906 -1 GNPS-MSMLS.mgf 170.488 6 0 0.0708008 415.211 0 CCMSLIB00005463896
721 spectra_filtered.mgf *..* :1204 3326 -1 0 352.165 1 0.958901 0 0 3337710.0 995600.0 Spectral Match to Trp-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf721 -1 GNPS-NIST14-MATCHES.mgf 1.64648 11 0 0.000579834 352.166 0 CCMSLIB00003137813
1390 spectra_filtered.mgf *..* :2747 187 -1 0 786.604 1 0.958298 0 0 534093.0 2843600.0 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1390 -1 GNPS-NIST14-MATCHES.mgf 4.03485 9 0 0.00317383 786.601 0 CCMSLIB00003134673
691 spectra_filtered.mgf *..* :41278 53277 -1 0 255.065 1 0.956921 0 0 6318860.0 114600.0 Massbank:LU093705 Daidzein M+H MASSBANK temp/spectra_filtered.mgf691 -1 MASSBANK.mgf 0.777701 13 0 0.000198364 255.065 0 CCMSLIB00005766829
1325 spectra_filtered.mgf *..* :2463 2742 -1 0 782.571 1 0.951925 0 0 550572.0 4605000.0 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1325 -1 GNPS-NIST14-MATCHES.mgf 2.02782 8 0 0.00158691 782.569 0 CCMSLIB00003137229
651 spectra_filtered.mgf *..* :1094 4221 -1 0 313.154 1 0.951516 0 0 2847140.0 738600.0 Spectral Match to Phe-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf651 -1 GNPS-NIST14-MATCHES.mgf 2.2414 7 0 0.000701904 313.155 0 CCMSLIB00003138708
62 spectra_filtered.mgf *..* :6337 6337 -1 0 360.15 1 0.949773 0 0 11983000.0 7834000.0 alpha,alpha-Trehalose - 40.0 eV M+NH4 BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf62 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 0.254207 12 0 9.15527e-05 360.15 0 CCMSLIB00006123417
995 spectra_filtered.mgf *..* :1351 1655 -1 0 421.231 1 0.949477 0 0 125391.0 284800.0 Spectral Match to Tris(2-butoxyethyl) phosphate from NIST14 M+Na GNPS-NIST14-MATCHES temp/spectra_filtered.mgf995 -1 GNPS-NIST14-MATCHES.mgf 3.33263 10 0 0.00140381 421.232 0 CCMSLIB00003136142
675 spectra_filtered.mgf *..* :4012 3262 -1 0 245.129 1 0.949046 0 0 486541.0 54100000.0 Spectral Match to Phe-Pro from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf675 -1 GNPS-NIST14-MATCHES.mgf 2.86341 7 0 0.000701904 245.128 0 CCMSLIB00003137749
198 spectra_filtered.mgf *..* :162 4736 -1 0 182.082 1 0.946598 0 0 2026.0 9067000.0 Spectral Match to L-Tyrosine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf198 -1 GNPS-NIST14-MATCHES.mgf 5409.07 6 0 0.984894 181.097 0 CCMSLIB00003139223
1356 spectra_filtered.mgf *..* :2747 187 -1 0 786.604 1 0.945179 0 0 534093.0 1716500.0 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1356 -1 GNPS-NIST14-MATCHES.mgf 1290.84 8 0 1.01538 785.589 0 CCMSLIB00003134673
804 spectra_filtered.mgf *..* :71212 71212 -1 0 301.07 1 0.945037 0 0 3195.0 191700.0 Tectorigenin [M+H]+ BMDMS-NP temp/spectra_filtered.mgf804 -1 BMDMS-NP.mgf 1.92591 13 0 0.000579834 301.071 0 CCMSLIB00006425512
176 spectra_filtered.mgf *..* :534 2789 -1 0 152.054 1 0.944996 0 0 1485680.0 1937000.0 Spectral Match to Guanine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf176 -1 GNPS-NIST14-MATCHES.mgf 17.7621 7 0 0.00270081 152.057 0 CCMSLIB00003137276
168 spectra_filtered.mgf *..* :156 1411 -1 0 227.103 1 0.944735 0 0 4851150.0 8538000.0 Spectral Match to PyroGlu-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf168 -1 GNPS-NIST14-MATCHES.mgf 2.21723 10 0 0.00050354 227.102 0 CCMSLIB00003135898
350 spectra_filtered.mgf *..* :733 4258 -1 0 188.07 1 0.943537 0 0 14117.0 322500.0 Spectral Match to DL-Indole-3-lactic acid from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf350 -1 GNPS-NIST14-MATCHES.mgf 3.65101 6 0 0.000686646 188.071 0 CCMSLIB00003138745
747 spectra_filtered.mgf *..* :62 8357 -1 0 243.088 1 0.943386 0 0 212468.0 289700.0 LUMICHROME - 70.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf747 -1 GNPS-LIBRARY.mgf 0.816018 10 0 0.000198364 243.088 0 CCMSLIB00005883215
282 spectra_filtered.mgf *..* :562 2180 -1 0 217.155 1 0.943334 0 0 851372.0 18046000.0 Spectral Match to Val-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf282 -1 GNPS-NIST14-MATCHES.mgf 1.82694 6 0 0.000396729 217.155 0 CCMSLIB00003136667
150 spectra_filtered.mgf *..* :149 347 -1 0 235.119 1 0.9427 0 0 2466890.0 18652000.0 Spectral Match to His-Pro from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf150 -1 GNPS-NIST14-MATCHES.mgf 0.454287 10 0 0.000106812 235.119 0 CCMSLIB00003134833
780 spectra_filtered.mgf *..* :3342 3342 -1 0 255.065 1 0.938975 0 0 277686000.0 6859000.0 Daidzein - 40.0 eV M+H BIRMINGHAM-UHPLC-MS-POS temp/spectra_filtered.mgf780 -1 BIRMINGHAM-UHPLC-MS-POS.mgf 0.358939 12 0 9.15527e-05 255.065 0 CCMSLIB00006118306
107 spectra_filtered.mgf *..* :694 12693 -1 0 230.096 1 0.937902 0 0 27949700.0 7896000.0 Massbank:UA006001 L-(+)-Ergothioneine|L-Ergothioneine|5-[(2S)-2-Carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate M+H MASSBANK temp/spectra_filtered.mgf107 -1 MASSBANK.mgf 1.25998 8 0 0.000289917 230.096 0 CCMSLIB00005726245
447 spectra_filtered.mgf *..* :619 6 -1 0 180.102 1 0.935845 0 0 2319240.0 1976700.0 C2_0_N-Acyl_Tyramine M+H CMMC-LIBRARY temp/spectra_filtered.mgf447 -1 CMMC-LIBRARY.mgf 0.0 6 0 0.0 180.102 0 CCMSLIB00012176233
822 spectra_filtered.mgf *..* :34823 46822 -1 0 269.081 1 0.934859 0 0 10238000.0 652800.0 Massbank:LU030105 Formononetin|7-hydroxy-3-(4-methoxyphenyl)chromen-4-one M+H MASSBANK temp/spectra_filtered.mgf822 -1 MASSBANK.mgf 1.13414 12 0 0.000305176 269.081 0 CCMSLIB00005760374
720 spectra_filtered.mgf *..* :4 388 -1 0 284.139 1 0.93428 0 0 76415.5 1074100.0 cyclo(D-Trp-L-Pro) M+Na GNPS-LIBRARY temp/spectra_filtered.mgf720 -1 GNPS-LIBRARY.mgf 1.71846 7 0 0.000488281 284.139 0 CCMSLIB00000007069
317 spectra_filtered.mgf *..* :21610 22056 -1 0 209.092 1 0.932777 0 0 31307600.0 14915000.0 L-kynurenine CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf317 -1 BERKELEY-LAB.mgf 0.0 8 0 0.0 209.092 0 CCMSLIB00010124046
1421 spectra_filtered.mgf *..* :145 10847 -1 0 586.54 1 0.932458 0 0 713160000.0 499700.0 DAG (16:0/16:0) M+H GNPS-LIBRARY temp/spectra_filtered.mgf1421 -1 GNPS-LIBRARY.mgf 0.728418 13 0 0.000427246 586.54 0 CCMSLIB00006678263
412 spectra_filtered.mgf *..* :1368 332 -1 0 265.154 1 0.930394 0 0 1125490.0 527400.0 Spectral Match to Phe-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf412 -1 GNPS-NIST14-MATCHES.mgf 2.64716 6 0 0.000701904 265.155 0 CCMSLIB00003134818
299 spectra_filtered.mgf *..* :2492 10390 -1 0 237.087 1 0.928814 0 0 1378400.0 1431600.0 Formylkynurenine M+H GNPS-LIBRARY temp/spectra_filtered.mgf299 -1 GNPS-LIBRARY.mgf 0.450516 10 0 0.000106812 237.087 0 CCMSLIB00006126861
700 spectra_filtered.mgf *..* :483 259 -1 0 1219.3 1 0.928223 0 0 131602000.0 1658200.0 RUTIN TRIHYDRATE 2M-H LEAFBOT temp/spectra_filtered.mgf700 -1 LEAFBOT.mgf 1491.21 6 0 1.81824 1217.48 0 CCMSLIB00011428031
189 spectra_filtered.mgf *..* :99 3652 -1 0 231.17 1 0.924845 0 0 93451.8 2577000.0 Spectral Match to Leu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf189 -1 GNPS-NIST14-MATCHES.mgf 8562.99 9 0 1.97951 233.15 0 CCMSLIB00003138139
243 spectra_filtered.mgf *..* :330 996 -1 0 167.034 1 0.924092 0 0 30695.8 187500.0 Spectral Match to Phthalic anhydride from NIST14 M+H+H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf243 -1 GNPS-NIST14-MATCHES.mgf 5890.98 6 0 0.983994 166.05 0 CCMSLIB00003135482
106 spectra_filtered.mgf *..* :1056 9351 -1 0 330.06 1 0.923392 0 0 1382260.0 878200.0 ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE - 20.0 eV M+H GNPS-LIBRARY temp/spectra_filtered.mgf106 -1 GNPS-LIBRARY.mgf 3205.8 6 0 1.05811 331.118 0 CCMSLIB00005884209
1015 spectra_filtered.mgf *..* :2749 3352 -1 0 524.37 1 0.923101 0 0 1240120.0 465500.0 Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1015 -1 GNPS-NIST14-MATCHES.mgf 1.39677 10 0 0.000732422 524.371 0 CCMSLIB00003137839
93 spectra_filtered.mgf *..* :189 115 -1 0 277.102 1 0.92223 0 0 1700340.0 2734000.0 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf93 -1 GNPS-NIST14-MATCHES.mgf 2.97354 11 0 0.000823975 277.103 0 CCMSLIB00003134601
1366 spectra_filtered.mgf *..* :2564 1580 -1 0 758.572 1 0.92211 0 0 471289.0 3958900.0 Spectral Match to 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1366 -1 GNPS-NIST14-MATCHES.mgf 3.21842 9 0 0.00244141 758.57 0 CCMSLIB00003136067
379 spectra_filtered.mgf *..* :341 5139 -1 0 229.118 1 0.920361 0 0 7119130.0 2481000.0 Spectral Match to PyroGlu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf379 -1 GNPS-NIST14-MATCHES.mgf 159.768 11 0 0.0366058 229.155 0 CCMSLIB00003139626
1355 spectra_filtered.mgf *..* :7241 5329 -1 0 784.59 1 0.919352 0 0 482972.0 2131500.0 Spectral Match to Arachidonoylthio-PC from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1355 -1 GNPS-NIST14-MATCHES.mgf 6.30119 6 0 0.00494385 784.585 0 CCMSLIB00003139816
1094 spectra_filtered.mgf *..* :10 5253 -1 0 281.051 1 0.919116 0 0 1317320.0 3065800.0 Spectral Match to Cyclotetrasiloxane, octamethyl- from NIST14 M+H-CH4 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1094 -1 GNPS-NIST14-MATCHES.mgf 0.325751 7 0 9.15527e-05 281.051 0 CCMSLIB00003139740
414 spectra_filtered.mgf *..* :4 467 -1 0 197.129 1 0.917118 0 0 378920.0 885900.0 cyclo(L-Val-L-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf414 -1 GNPS-LIBRARY.mgf 2.55437 9 0 0.00050354 197.128 0 CCMSLIB00000007148
1215 spectra_filtered.mgf *..* :2102 209 -1 0 446.363 1 0.91573 0 0 848388.0 3612200.0 Phe-C19:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf1215 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0.683694 7 0 0.000305176 446.363 0 CCMSLIB00010010807
991 spectra_filtered.mgf *..* :41412 53411 -1 0 435.295 1 0.913436 0 0 2886780.0 603700.0 Massbank:LU125401 Bis[2-(2-butoxyethoxy)ethyl] hexandioate|Bis[2-(2-butoxyethoxy)ethyl] adipate|bis[2-(2-butoxyethoxy)ethyl] hexanedioate M+H MASSBANK temp/spectra_filtered.mgf991 -1 MASSBANK.mgf 0.0 16 0 0.0 435.295 0 CCMSLIB00005766963
777 spectra_filtered.mgf *..* :1297 1295 -1 0 261.0 1 0.912505 0 0 198.0 405100.0 ReSpect:PM014407 Cyclo(Phe-Leu) M+H RESPECT temp/spectra_filtered.mgf777 -1 RESPECT.mgf 612.222 7 0 0.15979 261.16 0 CCMSLIB00000211289
908 spectra_filtered.mgf *..* :17186 14975 -1 0 432.234 1 0.911024 0 0 173.346 9408000.0 nemiralisib [2M-H2O+2H]+2 CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf908 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 8.54312 10 0 0.00369263 432.238 0 CCMSLIB00012269288
266 spectra_filtered.mgf *..* :1511 1509 -1 0 247.2 1 0.909488 0 0 266.0 7800000.0 ReSpect:PM017302 gamma-L-Glutamyl-L-valine M+H RESPECT temp/spectra_filtered.mgf266 -1 RESPECT.mgf 288.016 6 0 0.0711975 247.129 0 CCMSLIB00000211719
509 spectra_filtered.mgf *..* :19894 17289 -1 0 377.146 1 0.908927 0 0 144.74 377600.0 riboflavin [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf509 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 1.05192 11 0 0.000396729 377.146 0 CCMSLIB00012271602
68 spectra_filtered.mgf *..* :205 5467 -1 0 158.093 1 0.908703 0 0 2597860.0 19240000.0 Spectral Match to L-Arginine from NIST14 M+H-NH3 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf68 -1 GNPS-NIST14-MATCHES.mgf 6220.38 6 0 0.983398 159.076 0 CCMSLIB00003139954
913 spectra_filtered.mgf *..* :15390 13393 -1 0 460.267 1 0.908402 0 0 143.118 1647900.0 emorfazone [2M-2H2O+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf913 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 4.37607 6 0 0.00201416 460.269 0 CCMSLIB00012267706
360 spectra_filtered.mgf *..* :351 2242 -1 0 461.334 1 0.907728 0 0 12715600.0 342900.0 Spectral Match to Leu-Val from NIST14 2M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf360 -1 GNPS-NIST14-MATCHES.mgf 2.18297 8 0 0.00100708 461.333 0 CCMSLIB00003136729
213 spectra_filtered.mgf *..* :577 216 -1 0 355.198 1 0.906949 0 0 8286750.0 193600.0 Spectral Match to PyroGlu-Pro-Lys from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf213 -1 GNPS-NIST14-MATCHES.mgf 1.97609 10 0 0.000701904 355.197 0 CCMSLIB00003134702
617 spectra_filtered.mgf *..* :13533 25532 -1 0 211.144 1 0.906503 0 0 3560.0 26370000.0 Massbank:PR311142 Cyclo(leucylprolyl) M+H MASSBANK temp/spectra_filtered.mgf617 -1 MASSBANK.mgf 0.505871 9 0 0.000106812 211.144 0 CCMSLIB00005739084
1199 spectra_filtered.mgf *..* :2207 685 -1 0 371.312 1 0.906115 0 0 177737.0 5343000.0 Spectral Match to Hexanedioic acid, bis(2-ethylhexyl) ester from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1199 -1 GNPS-NIST14-MATCHES.mgf 8.87636 9 0 0.0032959 371.315 0 CCMSLIB00003135171
1197 spectra_filtered.mgf *..* :259 259 -1 0 391.285 1 0.906062 0 0 773.0 2246600.0 BIS(2-ETHYLHEXYL)PHTHALATE [M+H]+ PSU-MSMLS temp/spectra_filtered.mgf1197 -1 PSU-MSMLS.mgf 2562.08 13 0 1.0025 392.288 0 CCMSLIB00005720581
440 spectra_filtered.mgf *..* :4 358 -1 0 227.139 1 0.904901 0 0 87950.3 1159300.0 cyclo(L-Leu-L-4-hydroxy-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf440 -1 GNPS-LIBRARY.mgf 0.873317 10 0 0.000198364 227.139 0 CCMSLIB00000007039
245 spectra_filtered.mgf *..* :8829 8829 -1 0 189.0 1 0.903859 0 0 15207900.0 944600.0 Massbank:KO003027 Gly-Leu|Glycyl-L-leucine|Glycyl-leucine [M+H]+ MASSBANK temp/spectra_filtered.mgf245 -1 MASSBANK.mgf 652.414 6 0 0.123306 189.123 0 CCMSLIB00000218566
990 spectra_filtered.mgf *..* :533 1272 -1 0 261.142 1 0.901148 0 0 175876.0 222200.0 Spectral Match to N,N'-Diphenyl-p-phenylenediamine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf990 -1 GNPS-NIST14-MATCHES.mgf 12.2705 6 0 0.00320435 261.139 0 CCMSLIB00003135758
531 spectra_filtered.mgf *..* :1294 1292 -1 0 277.0 1 0.900248 0 0 206.0 457800.0 ReSpect:PM014404 Cyclo(Tyr-Leu) M+H RESPECT temp/spectra_filtered.mgf531 -1 RESPECT.mgf 558.461 9 0 0.154694 277.155 0 CCMSLIB00000211284
572 spectra_filtered.mgf *..* :1056 1966 -1 0 302.207 1 0.892939 0 0 704001.0 843300.0 Spectral Match to Ile-Gly-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf572 -1 GNPS-NIST14-MATCHES.mgf 1.31277 9 0 0.000396729 302.207 0 CCMSLIB00003136453
143 spectra_filtered.mgf *..* :128 3504 -1 0 259.129 1 0.892916 0 0 1084780.0 2431000.0 Spectral Match to L-Saccharopine from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf143 -1 GNPS-NIST14-MATCHES.mgf 1.1777 8 0 0.000305176 259.129 0 CCMSLIB00003137991
1051 spectra_filtered.mgf *..* :21768 18929 -1 0 403.236 1 0.892615 0 0 264.161 1110000.0 SCHEMBL658597 [M+Na]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1051 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 8.93044 11 0 0.00360107 403.232 0 CCMSLIB00012273242
442 spectra_filtered.mgf *..* :786 1408 -1 0 295.165 1 0.890071 0 0 26531500.0 1140700.0 Spectral Match to Tyr-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf442 -1 GNPS-NIST14-MATCHES.mgf 0.310175 9 0 9.15527e-05 295.165 0 CCMSLIB00003135895
389 spectra_filtered.mgf *..* :418 2492 -1 0 409.187 1 0.888786 0 0 10134500.0 429900.0 tryptophan 2M+H GNPS-NUTRI-METAB-FEM-POS temp/spectra_filtered.mgf389 -1 GNPS-NUTRI-METAB-FEM-POS.mgf 1.26788 6 0 0.000518799 409.186 0 CCMSLIB00006675444
438 spectra_filtered.mgf *..* :557 545 -1 0 217.097 1 0.886543 0 0 410620000.0 1186500.0 3S_2349_Tetrahydro_1h_pyrido_34b_indole_carboxylic_acid M+H GNPS-NUTRI-METAB-FEM-POS temp/spectra_filtered.mgf438 -1 GNPS-NUTRI-METAB-FEM-POS.mgf 0.913713 6 0 0.000198364 217.097 0 CCMSLIB00006673497
579 spectra_filtered.mgf *..* :942 3104 -1 0 277.119 1 0.885391 0 0 2306980.0 5211000.0 Spectral Match to PyroGlu-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf579 -1 GNPS-NIST14-MATCHES.mgf 2.86324 6 0 0.000793457 277.118 0 CCMSLIB00003137591
32 spectra_filtered.mgf *..* :2274 5885 -1 0 309.167 1 0.884401 0 0 514022.0 9574000.0 Fructoselysine M+H GNPS-LIBRARY temp/spectra_filtered.mgf32 -1 GNPS-LIBRARY.mgf 4.54062 11 0 0.00140381 309.166 0 CCMSLIB00005720267
290 spectra_filtered.mgf *..* :1678 227 -1 0 279.17 1 0.883103 0 0 11984000.0 713100.0 Spectral Match to Phe-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf290 -1 GNPS-NIST14-MATCHES.mgf 6960.55 7 0 1.94318 281.113 0 CCMSLIB00003134713
1000 spectra_filtered.mgf *..* :6975 6102 -1 0 389.108 1 0.883059 0 0 416.326 349900.0 RIDOGREL [M+Na]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1000 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 9.0194 13 0 0.00350952 389.112 0 CCMSLIB00012253321
183 spectra_filtered.mgf *..* :4215 55339 -1 0 294.118 1 0.880866 0 0 321.6 1003700.0 N-ACETYLMURAMIC ACID M+H MONA temp/spectra_filtered.mgf183 -1 MONA.mgf 0.933837 10 0 0.000274658 294.118 0 CCMSLIB00006684368
877 spectra_filtered.mgf *..* :464 1353 -1 0 285.075 1 0.877762 0 0 263490.0 406500.0 NCGC00017369-11!5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one M+H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf877 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 2.46217 11 0 0.000701904 285.076 0 CCMSLIB00000847612
1142 spectra_filtered.mgf *..* :728 23 -1 0 455.353 1 0.873165 0 0 1681180.0 88200.0 BOSWELLIC ACID, B M-H LEAFBOT temp/spectra_filtered.mgf1142 -1 LEAFBOT.mgf 2162.52 6 0 0.984711 456.338 0 CCMSLIB00011427795
1022 spectra_filtered.mgf *..* :2738 2633 -1 0 324.289 1 0.869824 0 0 1513700.0 205100.0 Spectral Match to Linoleoyl ethanolamide from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1022 -1 GNPS-NIST14-MATCHES.mgf 1.88212 8 0 0.000610352 324.29 0 CCMSLIB00003137120
283 spectra_filtered.mgf *..* :230 3103 -1 0 217.155 1 0.868311 0 0 26121700.0 899500.0 Spectral Match to Val-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf283 -1 GNPS-NIST14-MATCHES.mgf 4618.36 7 0 1.0029 218.158 0 CCMSLIB00003137590
20 spectra_filtered.mgf *..* :23353 23799 -1 0 168.081 1 0.867833 0 0 491935.0 23936000.0 CARBAZOLE CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf20 -1 BERKELEY-LAB.mgf 6355.22 6 0 1.06819 167.013 0 CCMSLIB00010125789
1160 spectra_filtered.mgf *..* :1305 4498 -1 0 628.196 1 0.867721 0 0 26252800.0 457800.0 Contaminant vial septum ThermoFisher C5000-44B M+NH4 GNPS-LIBRARY temp/spectra_filtered.mgf1160 -1 GNPS-LIBRARY.mgf 2.72046 20 0 0.00170898 628.194 0 CCMSLIB00005435823
284 spectra_filtered.mgf *..* :249 3061 -1 0 433.309 1 0.866773 0 0 13355100.0 300200.0 Spectral Match to Val-Val from NIST14 2M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf284 -1 GNPS-NIST14-MATCHES.mgf 16.8326 6 0 0.0072937 433.302 0 CCMSLIB00003137548
1306 spectra_filtered.mgf *..* :30343 30343 -1 0 780.554 1 0.863039 0 0 149267.0 1195600.0 PC(16:1/20:4); [M+H]+ C44H79N1O8P1 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1306 -1 PNNL-LIPIDS-POSITIVE.mgf 0.0781947 6 0 6.10352e-05 780.554 0 CCMSLIB00010101747
610 spectra_filtered.mgf *..* :1004 3393 -1 0 318.181 1 0.858382 0 0 2040460.0 571900.0 Spectral Match to Ile-Trp from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf610 -1 GNPS-NIST14-MATCHES.mgf 0.287738 6 0 9.15527e-05 318.181 0 CCMSLIB00003137880
750 spectra_filtered.mgf *..* :4071 6748 -1 0 169.086 1 0.851173 0 0 20290.0 1282000.0 Germicidin D M+H GNPS-LIBRARY temp/spectra_filtered.mgf750 -1 GNPS-LIBRARY.mgf 0.0 6 0 0.0 169.086 0 CCMSLIB00005724038
319 spectra_filtered.mgf *..* :860 3002 -1 0 297.126 1 0.849182 0 0 18435400.0 744100.0 Spectral Match to Phe-Met from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf319 -1 GNPS-NIST14-MATCHES.mgf 6721.7 6 0 1.99719 295.129 0 CCMSLIB00003137489
358 spectra_filtered.mgf *..* :322 3266 -1 0 247.128 1 0.848971 0 0 853156.0 1827300.0 Spectral Match to Asp-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf358 -1 GNPS-NIST14-MATCHES.mgf 3.21071 10 0 0.000793457 247.129 0 CCMSLIB00003137753
519 spectra_filtered.mgf *..* :10151 10151 -1 0 227.0 1 0.843254 0 0 3086720.0 4923100.0 Massbank:KO009044 Metyrapone [M+H]+ MASSBANK temp/spectra_filtered.mgf519 -1 MASSBANK.mgf 4092.04 6 0 0.928894 226.071 0 CCMSLIB00000221244
1378 spectra_filtered.mgf *..* :12743 24742 -1 0 415.321 1 0.843043 0 0 189162.0 347200.0 Massbank:RP010703 delta4-Dafachronic acid|3-Oxocholest-4-en-26-oic acid|(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic ac M+H MASSBANK temp/spectra_filtered.mgf1378 -1 MASSBANK.mgf 4679.1 9 0 1.94333 413.378 0 CCMSLIB00005738294
1416 spectra_filtered.mgf *..* :1104 10842 -1 0 612.556 1 0.841744 0 0 581478000.0 4270000.0 DAG (16:0/18:1) M+NH4 GNPS-LIBRARY temp/spectra_filtered.mgf1416 -1 GNPS-LIBRARY.mgf 0.0996401 15 0 6.10352e-05 612.556 0 CCMSLIB00006678258
546 spectra_filtered.mgf *..* :1453 8179 -1 0 302.15 1 0.841109 0 0 1550.0 1759700.0 Trp-Pro M+H GNPS-LIBRARY temp/spectra_filtered.mgf546 -1 GNPS-LIBRARY.mgf 0.303004 6 0 9.15527e-05 302.15 0 CCMSLIB00005788046
304 spectra_filtered.mgf *..* :22055 34054 -1 0 311.124 1 0.840675 0 0 13239.0 4680600.0 Massbank:PR311057 Glutamyltyrosine M+H MASSBANK temp/spectra_filtered.mgf304 -1 MASSBANK.mgf 164.2 8 0 0.0510864 311.073 0 CCMSLIB00005747606
249 spectra_filtered.mgf *..* :215 5634 -1 0 165.055 1 0.840462 0 0 13656800.0 210600.0 Spectral Match to L-Tyrosine from NIST14 M+H-NH3 GNPS-NIST14-MATCHES temp/spectra_filtered.mgf249 -1 GNPS-NIST14-MATCHES.mgf 5828.3 6 0 0.96199 164.093 0 CCMSLIB00003140121
1104 spectra_filtered.mgf *..* :4017 1440 -1 0 256.262 1 0.840433 0 0 546673.0 99400.0 Spectral Match to Palmitamide from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1104 -1 GNPS-NIST14-MATCHES.mgf 5.83528 6 0 0.00149536 256.263 0 CCMSLIB00003135927
197 spectra_filtered.mgf *..* :14905 26904 -1 0 294.156 1 0.83929 0 0 4248.0 10185000.0 Massbank:PR310824 N-Fructosyl isoleucine M+H MASSBANK temp/spectra_filtered.mgf197 -1 MASSBANK.mgf 4.46109 10 0 0.00131226 294.155 0 CCMSLIB00005740456
188 spectra_filtered.mgf *..* :1210 11316 -1 0 241.155 1 0.838639 0 0 1114.75 123600.0 N,N-dimethyl-proline-proline betaine M+H GNPS-LIBRARY temp/spectra_filtered.mgf188 -1 GNPS-LIBRARY.mgf 1.64512 9 0 0.000396729 241.155 0 CCMSLIB00008851523
1167 spectra_filtered.mgf *..* :4705 5254 -1 0 284.3 1 0.838157 0 0 1381300.0 117800.0 Spectral Match to Octadecanamide from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1167 -1 GNPS-NIST14-MATCHES.mgf 18.2483 8 0 0.00518799 284.295 0 CCMSLIB00003139741
1129 spectra_filtered.mgf *..* :21248 18465 -1 0 554.172 1 0.837518 0 0 471.386 1137300.0 (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol [2M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1129 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 6.71839 10 0 0.00372314 554.176 0 CCMSLIB00012272778
560 spectra_filtered.mgf *..* :7073 6184 -1 0 240.159 1 0.836179 0 0 182.502 552690.0 isoetharine [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf560 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 4583.63 8 0 1.1008 239.058 0 CCMSLIB00012253695
996 spectra_filtered.mgf *..* :3878 22341 -1 0 404.207 1 0.835191 0 0 198.739 480600.0 eudesmin [M+NH4]+ MONA temp/spectra_filtered.mgf996 -1 MONA.mgf 4575.14 6 0 1.8493 402.358 0 CCMSLIB00004694941
1464 spectra_filtered.mgf *..* :23046 23046 -1 0 614.572 1 0.833628 0 0 54904.3 2287300.0 DG(16:0/18:0/0:0); [M+NH4]+ C37H76N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1464 -1 PNNL-LIPIDS-POSITIVE.mgf 0.397253 6 0 0.000244141 614.572 0 CCMSLIB00010094450
236 spectra_filtered.mgf *..* :5644 5644 -1 0 214.028 1 0.833094 0 0 10334800.0 1357600.0 3-Chloro-L-tyrosine - 30.0 eV M-H BIRMINGHAM-UHPLC-MS-NEG temp/spectra_filtered.mgf236 -1 BIRMINGHAM-UHPLC-MS-NEG.mgf 8994.17 6 0 1.925 212.103 0 CCMSLIB00006125255
835 spectra_filtered.mgf *..* :1299 46357 -1 0 943.526 1 0.831965 0 0 375.297 12609000.0 (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid [M+H]+ MONA temp/spectra_filtered.mgf835 -1 MONA.mgf 1.29377 22 0 0.0012207 943.525 0 CCMSLIB00004718957
537 spectra_filtered.mgf *..* :5 437 -1 0 261.124 1 0.831692 0 0 37381.0 651900.0 cyclo(Phe-4-hydroxy-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf537 -1 GNPS-LIBRARY.mgf 1.51931 9 0 0.000396729 261.124 0 CCMSLIB00000007118
1181 spectra_filtered.mgf *..* :1537 4495 -1 0 700.236 1 0.829629 0 0 8286830.0 458600.0 Contaminant vial septum ThermoFisher C5000-44B M+NH4 GNPS-LIBRARY temp/spectra_filtered.mgf1181 -1 GNPS-LIBRARY.mgf 2823.06 22 0 1.97681 702.213 0 CCMSLIB00005435820
134 spectra_filtered.mgf *..* :389 1623 -1 0 231.097 1 0.829235 0 0 5382030.0 7769000.0 Spectral Match to Asp-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf134 -1 GNPS-NIST14-MATCHES.mgf 2.57508 9 0 0.000595093 231.098 0 CCMSLIB00003136110
1460 spectra_filtered.mgf *..* :23409 23409 -1 0 824.771 1 0.827847 0 0 138632.0 584100.0 TG(16:0/16:0/16:0); [M+NH4]+ C51H102N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1460 -1 PNNL-LIPIDS-POSITIVE.mgf 0.814028 14 0 0.000671387 824.77 0 CCMSLIB00010094813
1113 spectra_filtered.mgf *..* :728 23 -1 0 455.353 1 0.827536 0 0 1681180.0 123800.0 BOSWELLIC ACID, B M-H LEAFBOT temp/spectra_filtered.mgf1113 -1 LEAFBOT.mgf 4385.63 6 0 1.99701 457.35 0 CCMSLIB00011427795
1075 spectra_filtered.mgf *..* :75 1337 -1 0 614.485 1 0.825962 0 0 260.206 800000.0 L-lysine_(E) -dec-2-enoyl chloride [2M+NH4]+ CMMC-LIBRARY temp/spectra_filtered.mgf1075 -1 CMMC-LIBRARY.mgf 2.58251 9 0 0.00158691 614.483 0 CCMSLIB00012472351
155 spectra_filtered.mgf *..* :304 427 -1 0 215.139 1 0.82452 0 0 5726010.0 2043300.0 Spectral Match to Val-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf155 -1 GNPS-NIST14-MATCHES.mgf 9199.57 6 0 1.97919 217.118 0 CCMSLIB00003134913
1062 spectra_filtered.mgf *..* :8743 7589 -1 0 480.161 1 0.824483 0 0 479.813 385000.0 713139-25-4 [M+K]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1062 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 8.77086 14 0 0.00421143 480.157 0 CCMSLIB00012257900
323 spectra_filtered.mgf *..* :1586 655 -1 0 436.353 1 0.82346 0 0 1835420.0 232600.0 His-C19:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf323 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 1972.74 7 0 0.860809 437.214 0 CCMSLIB00010011254
824 spectra_filtered.mgf *..* :22272 34271 -1 0 959.521 1 0.820648 0 0 1693.0 1092700.0 Massbank:PR304289 Soyasaponin Ba M+H MASSBANK temp/spectra_filtered.mgf824 -1 MASSBANK.mgf 1.14498 25 0 0.00109863 959.52 0 CCMSLIB00005747823
470 spectra_filtered.mgf *..* :1293 1291 -1 0 185.0 1 0.818619 0 0 96.0 923000.0 ReSpect:PM014403 Cyclo(Ala-Leu) M+H RESPECT temp/spectra_filtered.mgf470 -1 RESPECT.mgf 694.564 6 0 0.128494 185.128 0 CCMSLIB00000211282
800 spectra_filtered.mgf *..* :4730 4730 -1 0 271.06 1 0.818586 0 0 3528.0 311600.0 Genistein [M+H]+ BMDMS-NP temp/spectra_filtered.mgf800 -1 BMDMS-NP.mgf 3701.72 11 0 1.00339 272.063 0 CCMSLIB00006359030
758 spectra_filtered.mgf *..* :310 2138 -1 0 1107.56 1 0.81848 0 0 341946.0 1026600.0 NCGC00180022-02!6-[[(3S,4S,6aR,8aR,9S,10R,12aS,14bR)-9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid M+H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf758 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 1.21237 27 0 0.00134277 1107.56 0 CCMSLIB00000848445
1343 spectra_filtered.mgf *..* :89 1537 -1 0 663.45 1 0.817513 0 0 392.588 26403000.0 L-phenylalanine_dodecanoic acid [2M-3H2O+Na]+ CMMC-LIBRARY temp/spectra_filtered.mgf1343 -1 CMMC-LIBRARY.mgf 5.15181 7 0 0.00341797 663.453 0 CCMSLIB00012472792
446 spectra_filtered.mgf *..* :728 5124 -1 0 263.142 1 0.816779 0 0 19988600.0 908600.0 Spectral Match to Met-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf446 -1 GNPS-NIST14-MATCHES.mgf 4.98687 9 0 0.00131226 263.141 0 CCMSLIB00003139611
1435 spectra_filtered.mgf *..* :22312 22312 -1 0 626.572 1 0.813913 0 0 20058.2 2315600.0 DG(17:0/18:1/0:0); [M+NH4]+ C38H76N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1435 -1 PNNL-LIPIDS-POSITIVE.mgf 0.681879 9 0 0.000427246 626.572 0 CCMSLIB00010093716
164 spectra_filtered.mgf *..* :278 3250 -1 0 284.1 1 0.813135 0 0 30916.0 1139400.0 Spectral Match to Guanosine from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf164 -1 GNPS-NIST14-MATCHES.mgf 4.61899 6 0 0.00131226 284.099 0 CCMSLIB00003137737
341 spectra_filtered.mgf *..* :8563 283 -1 0 185.081 1 0.812567 0 0 9596610.0 106900.0 Asperlactone M+H TUEBINGEN-NATURAL-PRODUCT-COLLECTION temp/spectra_filtered.mgf341 -1 TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 12.9437 6 0 0.00239563 185.079 0 CCMSLIB00011906249
1064 spectra_filtered.mgf *..* :18883 16426 -1 0 463.129 1 0.812139 0 0 438.802 762200.0 630407-66-8 [2M-H2O+2H]+2 CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1064 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 2.83346 15 0 0.00131226 463.13 0 CCMSLIB00012270739
618 spectra_filtered.mgf *..* :23931 35930 -1 0 211.144 1 0.811765 0 0 458.0 5353000.0 Massbank:PR300811 Cyclo(proline-leucine) M+H MASSBANK temp/spectra_filtered.mgf618 -1 MASSBANK.mgf 4752.22 9 0 1.0034 212.147 0 CCMSLIB00005749482
187 spectra_filtered.mgf *..* :294 1297 -1 0 217.155 1 0.811608 0 0 47500100.0 1872500.0 Lys-C4:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf187 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 9112.41 7 0 1.97881 219.134 0 CCMSLIB00011434739
833 spectra_filtered.mgf *..* :1327 1773 -1 0 183.092 1 0.8102 0 0 1005160.0 578500.0 HARMANE CollisionEnergy:102040 M+H BERKELEY-LAB temp/spectra_filtered.mgf833 -1 BERKELEY-LAB.mgf 583.793 7 0 0.106888 182.985 0 CCMSLIB00010103761
51 spectra_filtered.mgf *..* :909 909 -1 0 343.124 1 0.807902 0 0 163.08 6363400.0 HMDB:HMDB00055-87 Cellobiose M+H HMDB temp/spectra_filtered.mgf51 -1 HMDB.mgf 2879.98 6 0 0.98819 342.136 0 CCMSLIB00000425937
1339 spectra_filtered.mgf *..* :26980 47961 -1 0 609.231 1 0.807793 0 0 568.162 1027300.0 Baccatin III [M+Na]+ MONA temp/spectra_filtered.mgf1339 -1 MONA.mgf 1564.07 17 0 0.952881 610.184 0 CCMSLIB00004720561
471 spectra_filtered.mgf *..* :2294 2740 -1 0 295.085 1 0.804169 0 0 438998.0 486400.0 N-[2-(5-chloroindol-3-yl)ethyl]propanamide CollisionEnergy:102040 M+formate BERKELEY-LAB temp/spectra_filtered.mgf471 -1 BERKELEY-LAB.mgf 3223.49 6 0 0.951202 294.134 0 CCMSLIB00010104728
211 spectra_filtered.mgf *..* :6391 5582 -1 0 493.214 1 0.80276 0 0 490.092 346000.0 N-Acetylmuramyl-L-alanyl-L-isoglutamine [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf211 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.37125 11 0 0.000183105 493.214 0 CCMSLIB00012252539
309 spectra_filtered.mgf *..* :22055 34054 -1 0 311.124 1 0.801587 0 0 13239.0 6179000.0 Massbank:PR311057 Glutamyltyrosine M+H MASSBANK temp/spectra_filtered.mgf309 -1 MASSBANK.mgf 1.27515 9 0 0.000396729 311.124 0 CCMSLIB00005747606
1063 spectra_filtered.mgf *..* :16 16 -1 0 281.247 1 0.799243 0 0 5067.0 800900.0 linoleic acid [M+H]+ GNPS-SCIEX-LIBRARY temp/spectra_filtered.mgf1063 -1 GNPS-SCIEX-LIBRARY.mgf 3497.65 15 0 0.983704 280.263 0 CCMSLIB00006581640
218 spectra_filtered.mgf *..* :363 914 -1 0 263.142 1 0.79845 0 0 250783.0 1324000.0 Spectral Match to Ile-Met from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf218 -1 GNPS-NIST14-MATCHES.mgf 7591.3 8 0 1.99759 261.144 0 CCMSLIB00003135400
30 spectra_filtered.mgf *..* :288 1279 -1 0 245.161 1 0.797195 0 0 14458400.0 842000.0 Arg-C4:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf30 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 4058.97 11 0 0.995102 246.156 0 CCMSLIB00011434721
999 spectra_filtered.mgf *..* :478 84 -1 0 469.332 1 0.793758 0 0 2988730.0 94400.0 GLYCYRRHETINIC ACID, 18a-2 M-H LEAFBOT temp/spectra_filtered.mgf999 -1 LEAFBOT.mgf 1990.89 6 0 0.934387 470.266 0 CCMSLIB00011427856
1110 spectra_filtered.mgf *..* :9967 8633 -1 0 282.279 1 0.793672 0 0 303.994 543000.0 phytosphingosine [M-2H2O+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1110 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.0 8 0 0.0 282.279 0 CCMSLIB00012260360
855 spectra_filtered.mgf *..* :710 5674 -1 0 941.51 1 0.792559 0 0 2017780.0 569500.0 NCGC00385557-01_C48H76O18_ M+H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf855 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.129654 26 0 0.00012207 941.51 0 CCMSLIB00000855926
1014 spectra_filtered.mgf *..* :3157 2751 -1 0 634.452 1 0.791874 0 0 445.253 475000.0 Nonoxynol-9 [M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1014 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.0 15 0 0.0 634.452 0 CCMSLIB00012249708
989 spectra_filtered.mgf *..* :6625 25088 -1 0 451.225 1 0.788408 0 0 460.579 1784200.0 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol [M+K]+ MONA temp/spectra_filtered.mgf989 -1 MONA.mgf 2430.45 15 0 1.09668 452.322 0 CCMSLIB00004697688
1295 spectra_filtered.mgf *..* :3761 397 -1 0 394.347 1 0.78768 0 0 1462160.0 5266800.0 Lithocholyl_Pyrrolidine_NCE45 M-2H2O+H CMMC-LIBRARY temp/spectra_filtered.mgf1295 -1 CMMC-LIBRARY.mgf 2555.8 9 0 1.00787 393.339 0 CCMSLIB00012176681
1376 spectra_filtered.mgf *..* :9450 9450 -1 0 584.525 1 0.787495 0 0 35652.1 763500.0 DG(16:0/16:1/0:0); [M+NH4]+ C35H70N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1376 -1 PNNL-LIPIDS-POSITIVE.mgf 0.730929 7 0 0.000427246 584.525 0 CCMSLIB00010072451
1309 spectra_filtered.mgf *..* :1712 5271 -1 0 447.35 1 0.7873 0 0 11134.3 1409200.0 Spectral Match to Diisodecyl phthalate from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1309 -1 GNPS-NIST14-MATCHES.mgf 7.36761 6 0 0.0032959 447.347 0 CCMSLIB00003139758
140 spectra_filtered.mgf *..* :1926 7620 -1 0 251.164 1 0.785955 0 0 265568000.0 5194900.0 9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one M+H GNPS-LIBRARY temp/spectra_filtered.mgf140 -1 GNPS-LIBRARY.mgf 4122.83 6 0 1.03551 250.128 0 CCMSLIB00005725131
238 spectra_filtered.mgf *..* :1 11446 -1 0 265.144 1 0.785678 0 0 4029720.0 3536000.0 Tanacetin M+H GNPS-LIBRARY temp/spectra_filtered.mgf238 -1 GNPS-LIBRARY.mgf 3771.19 6 0 0.999908 264.144 0 CCMSLIB00009918508
149 spectra_filtered.mgf *..* :186 2911 -1 0 235.115 1 0.78512 0 0 2418390.0 4082000.0 Spectral Match to His-Pro from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf149 -1 GNPS-NIST14-MATCHES.mgf 4284.26 8 0 1.00729 236.122 0 CCMSLIB00003137398
388 spectra_filtered.mgf *..* :10151 10151 -1 0 227.0 1 0.784735 0 0 3086720.0 1729200.0 Massbank:KO009044 Metyrapone [M+H]+ MASSBANK temp/spectra_filtered.mgf388 -1 MASSBANK.mgf 4092.51 7 0 0.929001 226.071 0 CCMSLIB00000221244
78 spectra_filtered.mgf *..* :812 506 -1 0 259.202 1 0.784466 0 0 190421.0 4836000.0 Lys-C7:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf78 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 4078.99 6 0 1.05728 258.145 0 CCMSLIB00010011105
1044 spectra_filtered.mgf *..* :7446 6502 -1 0 600.468 1 0.782643 0 0 284.423 292800.0 Polidocanol [M+NH4]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf1044 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0.203292 10 0 0.00012207 600.468 0 CCMSLIB00012254917
1151 spectra_filtered.mgf *..* :1537 4495 -1 0 700.236 1 0.781793 0 0 8286830.0 509800.0 Contaminant vial septum ThermoFisher C5000-44B M+NH4 GNPS-LIBRARY temp/spectra_filtered.mgf1151 -1 GNPS-LIBRARY.mgf 2823.75 20 0 1.97729 702.213 0 CCMSLIB00005435820
293 spectra_filtered.mgf *..* :10291 7807 -1 0 329.139 1 0.781589 0 0 544100.0 3706900.0 NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match] [M+H]+ GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf293 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 3038.6 6 0 1.00012 328.139 0 CCMSLIB00005723103
575 spectra_filtered.mgf *..* :48646 60645 -1 0 199.098 1 0.780755 0 0 229264.0 768000.0 Massbank:AU243703 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)|2-Amino-3-methylimidazo[4,5-f]quinoline|3-methylimidazo[4,5-f]quinolin-2-amine M+H MASSBANK temp/spectra_filtered.mgf575 -1 MASSBANK.mgf 9998.63 6 0 1.99071 197.107 0 CCMSLIB00005774197
609 spectra_filtered.mgf *..* :3494 3494 -1 0 568.567 1 0.779193 0 0 302310.0 556800.0 Cer(d18:0/18:0); [M+H]+ C36H74N1O3 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf609 -1 PNNL-LIPIDS-POSITIVE.mgf 2409.02 7 0 1.36969 567.197 0 CCMSLIB00010058756
232 spectra_filtered.mgf *..* :27070 48051 -1 0 316.1 1 0.778984 0 0 245.311 111100.0 N-Acetylmuramic Acid [M+Na]+ MONA temp/spectra_filtered.mgf232 -1 MONA.mgf 0.579264 8 0 0.000183105 316.1 0 CCMSLIB00004720651
984 spectra_filtered.mgf *..* :3878 22341 -1 0 404.207 1 0.778728 0 0 198.739 252800.0 eudesmin [M+NH4]+ MONA temp/spectra_filtered.mgf984 -1 MONA.mgf 4575.59 6 0 1.84949 402.358 0 CCMSLIB00004694941
844 spectra_filtered.mgf *..* :8887 7707 -1 0 210.128 1 0.778099 0 0 230.76 165100.0 Centanafadine [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf844 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 4562.43 7 0 0.958694 211.087 0 CCMSLIB00012258188
676 spectra_filtered.mgf *..* :4012 3262 -1 0 245.129 1 0.775264 0 0 486541.0 852500.0 Spectral Match to Phe-Pro from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf676 -1 GNPS-NIST14-MATCHES.mgf 4090.5 8 0 1.0027 246.132 0 CCMSLIB00003137749
474 spectra_filtered.mgf *..* :1 1270 -1 0 181.096 1 0.773675 0 0 2100140.0 1294000.0 1,6-propano-3-ethylideno-1,4-piperazine-2,5-dione M+H GNPS-LIBRARY temp/spectra_filtered.mgf474 -1 GNPS-LIBRARY.mgf 6.65638 6 0 0.00120544 181.097 0 CCMSLIB00000081169
392 spectra_filtered.mgf *..* :10238 10238 -1 0 261.2 1 0.772639 0 0 165.7 497800.0 Massbank:MT000016 gamma-Glutamylleucine [M+H]+ MASSBANK temp/spectra_filtered.mgf392 -1 MASSBANK.mgf 212.525 6 0 0.0555115 261.145 0 CCMSLIB00000221420
292 spectra_filtered.mgf *..* :189 115 -1 0 277.102 1 0.77256 0 0 1700340.0 1294800.0 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf292 -1 GNPS-NIST14-MATCHES.mgf 7213.26 8 0 1.99881 279.101 0 CCMSLIB00003134601
843 spectra_filtered.mgf *..* :698 5116 -1 0 913.516 1 0.770746 0 0 402502.0 3048000.0 NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid M+H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf843 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 1.20264 21 0 0.00109863 913.515 0 CCMSLIB00000854771
281 spectra_filtered.mgf *..* :9 9 -1 0 421.149 1 0.769961 0 0 9107400.0 573500.0 rhaponticin M+H GNPS-SAM-SIK-KANG-LEGACY-LIBRARY temp/spectra_filtered.mgf281 -1 GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 4709.49 6 0 1.9834 419.166 0 CCMSLIB00010007705
262 spectra_filtered.mgf *..* :1 1279 -1 0 199.107 1 0.768531 0 0 3192410.0 2753500.0 cyclo-(Thr-Pro) M+H GNPS-LIBRARY temp/spectra_filtered.mgf262 -1 GNPS-LIBRARY.mgf 3.52526 7 0 0.000701904 199.108 0 CCMSLIB00000081178
94 spectra_filtered.mgf *..* :588 1034 -1 0 684.256 1 0.764145 0 0 878282.0 871200.0 Stachyose CollisionEnergy:102040 M+NH4 BERKELEY-LAB temp/spectra_filtered.mgf94 -1 BERKELEY-LAB.mgf 1436.02 8 0 0.982605 685.239 0 CCMSLIB00010103022
445 spectra_filtered.mgf *..* :2447 4477 -1 0 227.085 1 0.763038 0 0 1094340.0 316500.0 Pyrenocine B putative M+H GNPS-LIBRARY temp/spectra_filtered.mgf445 -1 GNPS-LIBRARY.mgf 4656.35 7 0 1.05739 228.142 0 CCMSLIB00005435769
1200 spectra_filtered.mgf *..* :2230 1171 -1 0 259.19 1 0.760427 0 0 1043450.0 1314300.0 Spectral Match to Dibutyl adipate from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1200 -1 GNPS-NIST14-MATCHES.mgf 1.17742 6 0 0.000305176 259.19 0 CCMSLIB00003135657
1379 spectra_filtered.mgf *..* :3075 3075 -1 0 810.755 1 0.758182 0 0 830395.0 643000.0 TG(14:0/16:0/17:0); [M+NH4]+ C50H100N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1379 -1 PNNL-LIPIDS-POSITIVE.mgf 1237.11 14 0 1.00299 811.758 0 CCMSLIB00010058337
1427 spectra_filtered.mgf *..* :23674 23674 -1 0 638.572 1 0.752425 0 0 21970.8 299000.0 DG(18:0/18:2/0:0); [M+NH4]+ C39H76N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1427 -1 PNNL-LIPIDS-POSITIVE.mgf 0.382323 8 0 0.000244141 638.572 0 CCMSLIB00010095078
559 spectra_filtered.mgf *..* :3194 3194 -1 0 512.504 1 0.751563 0 0 332736.0 10007000.0 Cer(d18:0/14:0); [M+H]+ C32H66N1O3 M+H PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf559 -1 PNNL-LIPIDS-POSITIVE.mgf 1332.64 6 0 0.682983 513.187 0 CCMSLIB00010058456
272 spectra_filtered.mgf *..* :778 1474 -1 0 246.158 1 0.749496 0 0 18657400.0 1711500.0 histamine-C7:0 M+Na ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf272 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 8020.04 8 0 1.9742 248.132 0 CCMSLIB00011434917
124 spectra_filtered.mgf *..* :3116 3116 -1 0 279.3 1 0.747722 0 0 145.6 3405900.0 MoNA:3488274 Lin M-H MONA temp/spectra_filtered.mgf124 -1 MONA.mgf 3003.57 6 0 0.838898 280.139 0 CCMSLIB00000565864
1320 spectra_filtered.mgf *..* :1948 4809 -1 0 536.165 1 0.747174 0 0 422790.0 2420400.0 Contaminants septum vial Thermo C4000-53 and C4000-54 serie M+H GNPS-LIBRARY temp/spectra_filtered.mgf1320 -1 GNPS-LIBRARY.mgf 0.455346 14 0 0.000244141 536.165 0 CCMSLIB00005436264
917 spectra_filtered.mgf *..* :10949 29412 -1 0 415.123 1 0.746644 0 0 261.099 10471000.0 asperuloside [M+H]+ MONA temp/spectra_filtered.mgf917 -1 MONA.mgf 2630.13 6 0 1.09183 416.215 0 CCMSLIB00004702012
242 spectra_filtered.mgf *..* :18197 30196 -1 0 276.145 1 0.74614 0 0 3035.0 1541000.0 Massbank:PR310825 N-Fructosyl isoleucine M-H2O+H MASSBANK temp/spectra_filtered.mgf242 -1 MASSBANK.mgf 3.53641 8 0 0.000976562 276.144 0 CCMSLIB00005743748
139 spectra_filtered.mgf *..* :9426 9426 -1 0 233.0 1 0.744145 0 0 48732700.0 1597000.0 Massbank:KO003629 Nalidixate|Nalidixic acid [M+H]+ MASSBANK temp/spectra_filtered.mgf139 -1 MASSBANK.mgf 3785.42 7 0 0.882004 232.118 0 CCMSLIB00000219780
359 spectra_filtered.mgf *..* :341 5139 -1 0 229.118 1 0.744045 0 0 7119130.0 1550200.0 Spectral Match to PyroGlu-Val from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf359 -1 GNPS-NIST14-MATCHES.mgf 1.33196 9 0 0.000305176 229.118 0 CCMSLIB00003139626
1153 spectra_filtered.mgf *..* :1319 4493 -1 0 631.195 1 0.742308 0 0 2952160.0 442300.0 Contaminant vial septum ThermoFisher C5000-44B M+NH4 GNPS-LIBRARY temp/spectra_filtered.mgf1153 -1 GNPS-LIBRARY.mgf 3168.4 22 0 1.99988 629.195 0 CCMSLIB00005435818
1501 spectra_filtered.mgf *..* :8819 8819 -1 0 912.802 1 0.740373 0 0 1367780.0 493400.0 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1501 -1 PNNL-LIPIDS-POSITIVE.mgf 2167.85 16 0 1.97882 914.781 0 CCMSLIB00010071160
796 spectra_filtered.mgf *..* :16369 16815 -1 0 287.047 1 0.740342 0 0 4583030.0 868100.0 3-(3-chlorophenyl)-6-hydroxy-4-methylchromen-2-one CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf796 -1 BERKELEY-LAB.mgf 6894.67 9 0 1.9791 289.026 0 CCMSLIB00010118804
821 spectra_filtered.mgf *..* :710 5674 -1 0 941.51 1 0.740233 0 0 2017780.0 330700.0 NCGC00385557-01_C48H76O18_ M+H GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf821 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 0.194481 21 0 0.000183105 941.51 0 CCMSLIB00000855926
1406 spectra_filtered.mgf *..* :22820 22820 -1 0 624.557 1 0.739763 0 0 26758.5 416300.0 DG(17:1/18:1/0:0); [M+NH4]+ C38H74N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1406 -1 PNNL-LIPIDS-POSITIVE.mgf 1.75906 8 0 0.00109863 624.556 0 CCMSLIB00010094224
506 spectra_filtered.mgf *..* :9263 8026 -1 0 360.095 1 0.739275 0 0 165.316 762600.0 SCHEMBL649003 [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf506 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 5420.53 6 0 1.9519 358.143 0 CCMSLIB00012258975
511 spectra_filtered.mgf *..* :344 3110 -1 0 243.134 1 0.737513 0 0 502748.0 23955000.0 Spectral Match to PyroGlu-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf511 -1 GNPS-NIST14-MATCHES.mgf 0.0 8 0 0.0 243.134 0 CCMSLIB00003137597
21 spectra_filtered.mgf *..* :2132 7104 -1 0 215.142 1 0.735727 0 0 1216990.0 14958000.0 (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-dodecahydronaphtho[2,3-b]furan-2-one M-H2O+H GNPS-LIBRARY temp/spectra_filtered.mgf21 -1 GNPS-LIBRARY.mgf 1042.59 6 0 0.224304 214.918 0 CCMSLIB00005724615
831 spectra_filtered.mgf *..* :701 5117 -1 0 930.542 1 0.733469 0 0 166246.0 502100.0 NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid M+NH4 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf831 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 1.31182 21 0 0.0012207 930.543 0 CCMSLIB00000854773
555 spectra_filtered.mgf *..* :1517 3562 -1 0 332.22 1 0.732225 0 0 1118780.0 1678600.0 Spectral Match to Thr-Val-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf555 -1 GNPS-NIST14-MATCHES.mgf 5963.8 7 0 1.98129 330.239 0 CCMSLIB00003138049
452 spectra_filtered.mgf *..* :918 1715 -1 0 304.165 1 0.730496 0 0 3116210.0 474200.0 Spectral Match to Val-Trp from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf452 -1 GNPS-NIST14-MATCHES.mgf 6508.96 7 0 1.9798 306.145 0 CCMSLIB00003136202
1259 spectra_filtered.mgf *..* :5099 2054 -1 0 338.341 1 0.730072 0 0 391665.0 2255000.0 Spectral Match to 13-Docosenamide, (Z)- from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1259 -1 GNPS-NIST14-MATCHES.mgf 2.34514 12 0 0.000793457 338.342 0 CCMSLIB00003136541
1412 spectra_filtered.mgf *..* :2617 3777 -1 0 577.518 1 0.729272 0 0 14310400.0 1359500.0 Spectral Match to 1-Palmitoyl-2-oleoyl-sn-glycerol from NIST14 M+H-H2O GNPS-NIST14-MATCHES temp/spectra_filtered.mgf1412 -1 GNPS-NIST14-MATCHES.mgf 0.845482 11 0 0.000488281 577.518 0 CCMSLIB00003138264
788 spectra_filtered.mgf *..* :315 278 -1 0 436.234 1 0.727485 0 0 129.939 378300.0 LY3200882 [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf788 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 2665.78 6 0 1.1629 435.071 0 CCMSLIB00012247235
590 spectra_filtered.mgf *..* :1678 227 -1 0 279.17 1 0.722561 0 0 11984000.0 1586000.0 Spectral Match to Phe-Leu from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf590 -1 GNPS-NIST14-MATCHES.mgf 0.983838 6 0 0.000274658 279.17 0 CCMSLIB00003134713
166 spectra_filtered.mgf *..* :442 3172 -1 0 229.155 1 0.721734 0 0 5974300.0 3315300.0 Spectral Match to Leu-Pro from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf166 -1 GNPS-NIST14-MATCHES.mgf 160.608 6 0 0.0368042 229.118 0 CCMSLIB00003137659
851 spectra_filtered.mgf *..* :13770 14216 -1 0 313.107 1 0.721619 0 0 15069600.0 143700.0 Cabreuvin CollisionEnergy:205060 M+H BERKELEY-LAB temp/spectra_filtered.mgf851 -1 BERKELEY-LAB.mgf 6321.51 10 0 1.97931 315.086 0 CCMSLIB00010116204
162 spectra_filtered.mgf *..* :2579 2258 -1 0 441.215 1 0.720925 0 0 522.821 1723400.0 CERONAPRIL [M+H]+ CMMC-REFRAME-POSITIVE-LIBRARY temp/spectra_filtered.mgf162 -1 CMMC-REFRAME-POSITIVE-LIBRARY.mgf 2373.47 7 0 1.04721 440.168 0 CCMSLIB00012249215
1287 spectra_filtered.mgf *..* :5638 5636 -1 0 715.04 1 0.720418 0 0 3527.0 1918300.0 ReSpect:PS112703 glucocerebrosides|Glucosyl (E,E)N(2-hydroxyhexadecanoyl)sphing-4,8-dienine [M+H] RESPECT temp/spectra_filtered.mgf1287 -1 RESPECT.mgf 683.726 7 0 0.488892 714.551 0 CCMSLIB00000219855
1300 spectra_filtered.mgf *..* :3761 397 -1 0 394.347 1 0.719921 0 0 1462160.0 9923000.0 Lithocholyl_Pyrrolidine_NCE45 M-2H2O+H CMMC-LIBRARY temp/spectra_filtered.mgf1300 -1 CMMC-LIBRARY.mgf 1.2382 8 0 0.000488281 394.346 0 CCMSLIB00012176681
1461 spectra_filtered.mgf *..* :8818 8818 -1 0 912.802 1 0.7181 0 0 348287.0 498400.0 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1461 -1 PNNL-LIPIDS-POSITIVE.mgf 40.5206 10 0 0.0369873 912.765 0 CCMSLIB00010071158
361 spectra_filtered.mgf *..* :344 3110 -1 0 243.134 1 0.716172 0 0 502748.0 715800.0 Spectral Match to PyroGlu-Ile from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf361 -1 GNPS-NIST14-MATCHES.mgf 0.439311 8 0 0.000106812 243.134 0 CCMSLIB00003137597
399 spectra_filtered.mgf *..* :474 2270 -1 0 281.112 1 0.715964 0 0 2075340.0 532000.0 Spectral Match to .alpha.-L-Asp-L-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf399 -1 GNPS-NIST14-MATCHES.mgf 4.23385 6 0 0.00119019 281.113 0 CCMSLIB00003136757
872 spectra_filtered.mgf *..* :16206 16652 -1 0 355.285 1 0.715094 0 0 37779500.0 217100.0 2-octyltridecanedioic acid CollisionEnergy:205060 M-H BERKELEY-LAB temp/spectra_filtered.mgf872 -1 BERKELEY-LAB.mgf 5568.73 8 0 1.97849 357.263 0 CCMSLIB00010118641
603 spectra_filtered.mgf *..* :831 3249 -1 0 279.169 1 0.713628 0 0 5778.0 738100.0 Spectral Match to Leu-Phe from NIST14 M+H GNPS-NIST14-MATCHES temp/spectra_filtered.mgf603 -1 GNPS-NIST14-MATCHES.mgf 3599.22 6 0 1.00479 280.174 0 CCMSLIB00003137736
310 spectra_filtered.mgf *..* :1862 141 -1 0 390.3 1 0.713343 0 0 503511.0 6821800.0 Phe-C15:0 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf310 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 4820.42 7 0 1.88141 392.181 0 CCMSLIB00010010739
1424 spectra_filtered.mgf *..* :63 10740 -1 0 551.503 1 0.711236 0 0 288040000.0 434700.0 AEG(o-16:2/16:0) M+H GNPS-LIBRARY temp/spectra_filtered.mgf1424 -1 GNPS-LIBRARY.mgf 0.221341 11 0 0.00012207 551.503 0 CCMSLIB00006678154
740 spectra_filtered.mgf *..* :8183 8629 -1 0 232.118 1 0.710616 0 0 8446820.0 403000.0 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:102040 M+H BERKELEY-LAB temp/spectra_filtered.mgf740 -1 BERKELEY-LAB.mgf 8527.1 7 0 1.97929 230.139 0 CCMSLIB00010110617
826 spectra_filtered.mgf *..* :787 3388 -1 0 509.178 1 0.710022 0 0 211060.0 561400.0 NCGC00385405-01_C26H30O9_ M+Na GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE temp/spectra_filtered.mgf826 -1 GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf 1777.01 7 0 0.904816 508.273 0 CCMSLIB00000851143
327 spectra_filtered.mgf *..* :1818 6732 -1 0 351.176 1 0.707075 0 0 24558.0 355300.0 N-deoxyfructosylacetyllysine_isomer2 M+H GNPS-LIBRARY temp/spectra_filtered.mgf327 -1 GNPS-LIBRARY.mgf 0.260703 8 0 9.15527e-05 351.176 0 CCMSLIB00005724022
333 spectra_filtered.mgf *..* :3441 2470 -1 0 355.296 1 0.704875 0 0 59319400.0 3568500.0 Ornithine-C15:1 M+H ECG-ACYL-AMIDES-C4-C24-LIBRARY temp/spectra_filtered.mgf333 -1 ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 2389.9 7 0 0.849121 356.145 0 CCMSLIB00011435955
1450 spectra_filtered.mgf *..* :22482 22482 -1 0 640.588 1 0.704463 0 0 32791.7 360800.0 DG(18:0/18:1/0:0); [M+NH4]+ C39H78N1O5 M+NH4 PNNL-LIPIDS-POSITIVE temp/spectra_filtered.mgf1450 -1 PNNL-LIPIDS-POSITIVE.mgf 0.762239 8 0 0.000488281 640.588 0 CCMSLIB00010093886
372 spectra_filtered.mgf *..* :43187 43187 -1 0 225.09 1 0.703288 0 0 1842.0 355200.0 3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one [M+H]+ BMDMS-NP temp/spectra_filtered.mgf372 -1 BMDMS-NP.mgf 4520.02 6 0 1.01741 226.107 0 CCMSLIB00006397487
448 spectra_filtered.mgf *..* :1032 434 -1 0 251.175 1 0.703136 0 0 335148.0 760800.0 Rivastigmine tartrate (Exelon) [M+H] GNPS-SELLECKCHEM-FDA-PART2 temp/spectra_filtered.mgf448 -1 GNPS-SELLECKCHEM-FDA-PART2.mgf 3774.25 6 0 0.947998 252.123 0 CCMSLIB00000078429
315 spectra_filtered.mgf *..* :21825 33824 -1 0 261.146 1 0.703096 0 0 628.0 645600.0 Massbank:PR311045 Glutamylleucine M+H MASSBANK temp/spectra_filtered.mgf315 -1 MASSBANK.mgf 3774.12 7 0 0.985596 260.16 0 CCMSLIB00005747376
58 spectra_filtered.mgf *..* :222566 222566 -1 0 199.24 1 0.702302 0 0 2250.0 4184000.0 tetradecane [M+H]+ BMDMS-NP temp/spectra_filtered.mgf58 -1 BMDMS-NP.mgf 5797.56 6 0 1.15511 198.085 0 CCMSLIB00006576870
nf_output/metadata/ 0000755 0000000 0000000 00000000000 14622715330 013362 5 ustar root root nf_output/metadata/merged_metadata.tsv 0000644 0000000 0000000 00000645522 14622715330 017241 0 ustar root root filename ATTRIBUTE_GENUS ATTRIBUTE_DTU_ID ATTRIBUTE_M_SERIES_ID ATTRIBUTE_STRAIN_ID ATTRIBUTE_MEDIUM ATTRIBUTE_PHYLOTYPE ATTRIBUTE_GENOME ATTRIBUTE_EXTRACTION ATTRIBUTE_SAMPLE ATTRIBUTE_RUN ATTRIBUTE_PLATE ATTRIBUTE_WELL ATTRIBUTE_ACTIVITY ATTRIBUTE_HALO_TYPE_SA ATTRIBUTE_HALO_DIMENSION_mm_SA ATTRIBUTE_HALO_TYPE_EC ATTRIBUTE_HALO_DIMENSION_mm_EC
58352.mzML Actinoallomurus NAIC_0479 145113.0 RARE4_M8acid partial ok FE 58352.0 52.0 658.0 H2 SA_EC inhibition 10 inhibition 5.0
84625.mzML Actinoallomurus NAIC_0227 145808.0 RARE4_M8acid alp42 ok FE 84625.0 99.0 987.0 C5 N
48226.mzML Actinoallomurus NAIC_0217 145823.0 RARE4_M8acid alp16 ok FE 48226.0 34.0 532.0 C6 SA_EC inhibition 17_+_6_growth_retard growth_retard 6.0
46585.mzML Actinoallomurus NAIC_0034 M2 150184.0 RARE4_M8acid partial ok FE 46585.0 31.0 511.0 G5 N
47090.mzML Actinoallomurus NAIC_0008 M41 150223.0 RARE4_M8acid partial ok FE 47090.0 32.0 518.0 A10 SA_EC inhibition 10 unclear_growth_retard 4.0
82989.mzML Actinoallomurus NAIC_0479 145113.0 RARE5_AFAacid partial ok FE 82989.0 96.0 966.0 G9 SA_EC inhibition 10 inhibition 7.0
84624.mzML Actinoallomurus NAIC_0227 145808.0 RARE5_AFAacid alp42 ok FE 84624.0 99.0 987.0 C4 SA inhibition 11
82438.mzML Actinoallomurus NAIC_0217 145823.0 RARE5_AFAacid alp16 ok FE 82438.0 95.0 959.0 H8 SA inhibition 12_+_5_growth_retard
63361.mzML Actinoallomurus NAIC_0034 M2 150184.0 RARE5_AFAacid partial ok FE 63361.0 61.0 721.0 E1 N
63380.mzML Actinoallomurus NAIC_0008 M41 150223.0 RARE5_AFAacid partial ok FE 63380.0 61.0 721.0 F10 SA inhibition 17_+_5_growth_retard
nf_output/networking/ 0000755 0000000 0000000 00000000000 14622716055 013776 5 ustar root root nf_output/networking/clustersummary_with_groups.tsv 0000644 0000000 0000000 00002307425 14622715377 022310 0 ustar root root cluster index parent mass RTMean ATTRIBUTE_GENUS:GNPSGROUP:Actinoallomurus ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0479 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0227 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0217 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0034 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0008 ATTRIBUTE_M_SERIES_ID:GNPSGROUP:nan ATTRIBUTE_M_SERIES_ID:GNPSGROUP:M2 ATTRIBUTE_M_SERIES_ID:GNPSGROUP:M41 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145113.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145808.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145823.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:150184.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:150223.0 ATTRIBUTE_MEDIUM:GNPSGROUP:RARE4_M8acid ATTRIBUTE_MEDIUM:GNPSGROUP:RARE5_AFAacid ATTRIBUTE_PHYLOTYPE:GNPSGROUP:partial ATTRIBUTE_PHYLOTYPE:GNPSGROUP:alp42 ATTRIBUTE_PHYLOTYPE:GNPSGROUP:alp16 ATTRIBUTE_GENOME:GNPSGROUP:ok ATTRIBUTE_EXTRACTION:GNPSGROUP:FE ATTRIBUTE_SAMPLE:GNPSGROUP:58352.0 ATTRIBUTE_SAMPLE:GNPSGROUP:84625.0 ATTRIBUTE_SAMPLE:GNPSGROUP:48226.0 ATTRIBUTE_SAMPLE:GNPSGROUP:46585.0 ATTRIBUTE_SAMPLE:GNPSGROUP:47090.0 ATTRIBUTE_SAMPLE:GNPSGROUP:82989.0 ATTRIBUTE_SAMPLE:GNPSGROUP:84624.0 ATTRIBUTE_SAMPLE:GNPSGROUP:82438.0 ATTRIBUTE_SAMPLE:GNPSGROUP:63361.0 ATTRIBUTE_SAMPLE:GNPSGROUP:63380.0 ATTRIBUTE_RUN:GNPSGROUP:52.0 ATTRIBUTE_RUN:GNPSGROUP:99.0 ATTRIBUTE_RUN:GNPSGROUP:34.0 ATTRIBUTE_RUN:GNPSGROUP:31.0 ATTRIBUTE_RUN:GNPSGROUP:32.0 ATTRIBUTE_RUN:GNPSGROUP:96.0 ATTRIBUTE_RUN:GNPSGROUP:95.0 ATTRIBUTE_RUN:GNPSGROUP:61.0 ATTRIBUTE_PLATE:GNPSGROUP:658.0 ATTRIBUTE_PLATE:GNPSGROUP:987.0 ATTRIBUTE_PLATE:GNPSGROUP:532.0 ATTRIBUTE_PLATE:GNPSGROUP:511.0 ATTRIBUTE_PLATE:GNPSGROUP:518.0 ATTRIBUTE_PLATE:GNPSGROUP:966.0 ATTRIBUTE_PLATE:GNPSGROUP:959.0 ATTRIBUTE_PLATE:GNPSGROUP:721.0 ATTRIBUTE_WELL:GNPSGROUP:H2 ATTRIBUTE_WELL:GNPSGROUP:C5 ATTRIBUTE_WELL:GNPSGROUP:C6 ATTRIBUTE_WELL:GNPSGROUP:G5 ATTRIBUTE_WELL:GNPSGROUP:A10 ATTRIBUTE_WELL:GNPSGROUP:G9 ATTRIBUTE_WELL:GNPSGROUP:C4 ATTRIBUTE_WELL:GNPSGROUP:H8 ATTRIBUTE_WELL:GNPSGROUP:E1 ATTRIBUTE_WELL:GNPSGROUP:F10 ATTRIBUTE_ACTIVITY:GNPSGROUP:SA_EC ATTRIBUTE_ACTIVITY:GNPSGROUP:N ATTRIBUTE_ACTIVITY:GNPSGROUP:SA ATTRIBUTE_HALO_TYPE_SA:GNPSGROUP:inhibition ATTRIBUTE_HALO_TYPE_SA:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:10 ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:17_+_6_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:11 ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:12_+_5_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:17_+_5_growth_retard ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:inhibition ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:nan ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:growth_retard ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:unclear_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:5.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:6.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:4.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:7.0
1 201.00829100629187 0.0032133288 55668.43000000001 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 111336.86000000002 0.0 0.0 278342.15 0.0 55668.43000000001 55668.43000000001 0.0 556684.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 556684.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185561.43333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
2 232.9801189329488 0.0032133288 9967.153999999999 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 19934.307999999997 0.0 0.0 49835.77 0.0 9967.153999999999 9967.153999999999 0.0 99671.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99671.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33223.846666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
3 186.95626463753413 0.023923583 29866.9216 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 35041.990000000005 24691.8532 0.0 149334.608 0.0 29866.9216 29866.9216 0.0 175209.95 0.0 0.0 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175209.95 0.0 0.0 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 58403.31666666667 41153.08866666667 17637.038 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
4 217.9566509494626 0.031533178 9769.715 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 19539.43 0.0 0.0 48848.575 0.0 9769.715 9769.715 0.0 97697.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97697.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32565.716666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
5 1628.2068458537244 0.55398566 19097.612 0.0 0.0 0.0 95488.06 0.0 95488.06 0.0 0.0 0.0 0.0 95488.06 0.0 38195.224 0.0 31829.353333333333 0.0 0.0 19097.612 19097.612 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63658.706666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
6 1736.2432071537512 0.55398566 17146.017 0.0 0.0 0.0 85730.085 0.0 85730.085 0.0 0.0 0.0 0.0 85730.085 0.0 34292.034 0.0 28576.695000000003 0.0 0.0 17146.017 17146.017 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57153.39000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
7 310.15225927006173 0.5681249 88852.43000000001 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 177704.86000000002 0.0 0.0 444262.15 0.0 88852.43000000001 88852.43000000001 0.0 888524.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 888524.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296174.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
8 319.8033880522165 0.5681249 25221.525 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 50443.05 0.0 0.0 126107.625 0.0 25221.525 25221.525 0.0 252215.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 252215.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84071.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
9 464.7248308196159 0.5681249 42343.522 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 84687.044 0.0 0.0 211717.61 0.0 42343.522 42343.522 0.0 423435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141145.07333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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479 271.0576225141299 4.113428 105281.88199999998 0.0 0.0 137182.44 0.0 389226.97 0.0 389226.97 0.0 0.0 137182.44 0.0 389226.97 0.0 210563.76399999997 129742.32333333332 0.0 137182.44 105281.88199999998 105281.88199999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 0.0 778453.94 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 389226.97 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 389226.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 0.0 778453.94 0.0 0.0 350939.60666666663 150402.68857142856 0.0 0.0 0.0 274364.88 778453.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0
480 240.03255182528915 4.118538 9963.703 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 19927.406 0.0 0.0 49818.515 0.0 9963.703 9963.703 0.0 99637.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99637.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33212.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
481 530.2458449867139 4.129865 43394.056 0.0 0.0 0.0 216970.28 0.0 216970.28 0.0 0.0 0.0 0.0 216970.28 0.0 86788.112 0.0 72323.42666666667 0.0 0.0 43394.056 43394.056 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144646.85333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
482 652.2284534281464 4.129865 27791.940000000002 0.0 0.0 0.0 138959.7 0.0 138959.7 0.0 0.0 0.0 0.0 138959.7 0.0 55583.880000000005 0.0 46319.9 0.0 0.0 27791.940000000002 27791.940000000002 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92639.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
483 302.11350612835736 4.1344967 13572.660999999998 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 27145.321999999996 0.0 0.0 67863.305 0.0 13572.660999999998 13572.660999999998 0.0 135726.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135726.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45242.20333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
493 411.2602255336268 4.223561 10877.253999999999 54386.27 0.0 0.0 0.0 0.0 0.0 0.0 54386.27 0.0 0.0 0.0 0.0 0.0 21754.507999999998 18128.756666666664 0.0 0.0 10877.253999999999 10877.253999999999 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 27193.135 0.0 0.0 15538.934285714286 36257.51333333333 0.0 0.0 0.0 0.0 54386.27 0.0 0.0 0.0 0.0 0.0 108772.54
494 334.1398589983989 4.2319856 43389.728 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 86779.456 0.0 0.0 216948.64 0.0 43389.728 43389.728 0.0 433897.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433897.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144632.42666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
497 344.18173774833565 4.241422 7050.644 0.0 0.0 0.0 35253.22 0.0 35253.22 0.0 0.0 0.0 0.0 35253.22 0.0 14101.288 0.0 11751.073333333334 0.0 0.0 7050.644 7050.644 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23502.146666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
498 450.2448485162861 4.252671 24926.3825 0.0 63064.3475 0.0 61567.565 0.0 61567.565 0.0 0.0 63064.3475 0.0 61567.565 0.0 49852.765 0.0 20522.521666666667 63064.3475 0.0 24926.3825 24926.3825 0.0 126128.695 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63064.3475 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 63064.3475 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 126128.695 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83087.94166666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
499 360.21328138745025 4.2642603 26913.833999999995 0.0 0.0 74574.515 59994.655 0.0 59994.655 0.0 0.0 0.0 74574.515 59994.655 0.0 53827.66799999999 0.0 19998.218333333334 0.0 74574.515 26913.833999999995 26913.833999999995 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 37287.2575 39996.43666666667 0.0 21307.004285714287 0.0 149149.03 0.0 0.0 0.0 0.0 149149.03 0.0 0.0 149149.03 0.0 0.0
500 365.1456234633879 4.2648473 31880.478000000003 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 63760.956000000006 0.0 0.0 159402.39 0.0 31880.478000000003 31880.478000000003 0.0 318804.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318804.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106268.26000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
503 330.10356256918845 4.272964 126535.0 0.0 0.0 0.0 632675.0 0.0 632675.0 0.0 0.0 0.0 0.0 632675.0 0.0 253070.0 0.0 210891.66666666666 0.0 0.0 126535.0 126535.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 421783.3333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
504 636.2185268395222 4.28344 45308.35 0.0 0.0 0.0 0.0 226541.75 0.0 226541.75 0.0 0.0 0.0 0.0 226541.75 0.0 90616.7 75513.91666666667 0.0 0.0 45308.35 45308.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226541.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226541.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 151027.83333333334 64726.21428571428 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0
505 231.17034207155407 4.2876897 45143.522 225717.61 0.0 0.0 0.0 0.0 0.0 0.0 225717.61 0.0 0.0 0.0 0.0 0.0 90287.044 75239.20333333332 0.0 0.0 45143.522 45143.522 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 112858.805 0.0 0.0 64490.74571428571 150478.40666666665 0.0 0.0 0.0 0.0 225717.61 0.0 0.0 0.0 0.0 0.0 451435.22
506 358.14310695517406 4.288334 23868.6846 54458.168 0.0 0.0 64885.255 0.0 64885.255 0.0 54458.168 0.0 0.0 64885.255 0.0 47737.3692 0.0 39781.140999999996 0.0 0.0 23868.6846 23868.6846 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 0.0 0.0 27229.084 43256.83666666666 0.0 15559.476571428571 36305.44533333333 0.0 0.0 0.0 0.0 54458.168 0.0 0.0 108916.336 0.0 0.0 0.0
507 659.1999487007735 4.288806 43820.971999999994 0.0 0.0 0.0 219104.86 0.0 219104.86 0.0 0.0 0.0 0.0 219104.86 0.0 87641.94399999999 0.0 73034.95333333332 0.0 0.0 43820.971999999994 43820.971999999994 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146069.90666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
508 675.2396012543554 4.2990613 118949.5 0.0 0.0 0.0 0.0 594747.5 0.0 594747.5 0.0 0.0 0.0 0.0 594747.5 0.0 237899.0 198249.16666666666 0.0 0.0 118949.5 118949.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 594747.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 594747.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 396498.3333333333 169927.85714285713 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
509 377.1456083855931 4.301051 34507.534 134008.15 0.0 0.0 38529.52 0.0 38529.52 0.0 134008.15 0.0 0.0 38529.52 0.0 0.0 69015.068 57512.556666666664 0.0 0.0 34507.534 34507.534 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 0.0 77059.04 0.0 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 38529.52 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 38529.52 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 0.0 77059.04 0.0 67004.075 25686.346666666665 0.0 38288.04285714286 89338.76666666666 0.0 0.0 0.0 0.0 134008.15 0.0 0.0 0.0 0.0 0.0 268016.3
510 507.2419778085991 4.3031354 15230.053 76150.265 0.0 0.0 0.0 0.0 0.0 0.0 76150.265 0.0 0.0 0.0 0.0 30460.106 0.0 25383.421666666665 0.0 0.0 15230.053 15230.053 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38075.1325 0.0 0.0 21757.21857142857 50766.84333333333 0.0 0.0 0.0 0.0 76150.265 0.0 0.0 152300.53 0.0 0.0 0.0
512 485.2603786429325 4.328082 80977.19399999999 178823.0 0.0 0.0 226062.97 0.0 226062.97 0.0 178823.0 0.0 0.0 226062.97 0.0 161954.38799999998 0.0 134961.99 0.0 0.0 80977.19399999999 80977.19399999999 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 0.0 0.0 89411.5 150708.64666666667 0.0 51092.28571428572 119215.33333333333 0.0 0.0 0.0 0.0 178823.0 0.0 0.0 357646.0 0.0 0.0 0.0
513 383.6443243176978 4.3303957 13354.372 0.0 0.0 0.0 0.0 66771.86 0.0 66771.86 0.0 0.0 0.0 0.0 66771.86 0.0 26708.744 22257.286666666667 0.0 0.0 13354.372 13354.372 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66771.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66771.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 44514.573333333334 19077.674285714285 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0
514 245.1859283910788 4.3377295 172880.72 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 345761.44 0.0 864403.6 0.0 172880.72 172880.72 0.0 0.0 0.0 0.0 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 0.0 576269.0666666667 246972.45714285714 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
515 327.15519196304723 4.3468037 14593.853 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 29187.706 0.0 0.0 72969.265 0.0 14593.853 14593.853 0.0 145938.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145938.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48646.176666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
516 161.5572774540781 4.3530283 9559.055499999999 0.0 0.0 0.0 47795.2775 0.0 47795.2775 0.0 0.0 0.0 0.0 47795.2775 0.0 19118.110999999997 0.0 15931.759166666665 0.0 0.0 9559.055499999999 9559.055499999999 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31863.51833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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724 625.2394708820419 5.652628 282759.973 0.0 0.0 72689.265 0.0 1341110.6 0.0 1341110.6 0.0 0.0 72689.265 0.0 1341110.6 29075.706 536444.24 447036.8666666667 0.0 72689.265 282759.973 282759.973 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 0.0 0.0 2682221.2 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 1341110.6 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 1341110.6 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 0.0 0.0 2682221.2 36344.6325 0.0 894073.7333333334 403942.8185714286 0.0 145378.53 0.0 0.0 2682221.2 0.0 145378.53 0.0 0.0 145378.53 0.0 0.0
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731 425.2395765961468 5.716851 14119.86 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 28239.72 0.0 0.0 70599.3 0.0 14119.86 14119.86 0.0 141198.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141198.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47066.200000000004 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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733 356.21842866768503 5.737144 14909.189000000002 0.0 0.0 0.0 74545.945 0.0 74545.945 0.0 0.0 0.0 0.0 74545.945 0.0 29818.378000000004 0.0 24848.648333333334 0.0 0.0 14909.189000000002 14909.189000000002 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49697.29666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
734 316.22308624971987 5.761333 13117.079999999998 0.0 0.0 0.0 65585.4 0.0 65585.4 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 26234.159999999996 21861.8 0.0 0.0 13117.079999999998 13117.079999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131170.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131170.8 0.0 0.0 43723.6 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
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738 624.2631923605787 5.7747436 11571.855 0.0 0.0 0.0 0.0 57859.275 0.0 57859.275 0.0 0.0 0.0 0.0 57859.275 0.0 23143.71 19286.425 0.0 0.0 11571.855 11571.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57859.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57859.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 38572.85 16531.22142857143 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0
739 344.2543733077923 5.779862 8950.189 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 17900.378 0.0 44750.945 0.0 8950.189 8950.189 0.0 0.0 0.0 0.0 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 0.0 29833.963333333333 12785.984285714285 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
740 230.13873413979533 5.783437 13754.9 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 27509.8 0.0 0.0 68774.5 0.0 13754.9 13754.9 0.0 137549.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 137549.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45849.666666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
741 433.20846692840246 5.81939 15344.182999999999 0.0 0.0 0.0 76720.915 0.0 76720.915 0.0 0.0 0.0 0.0 76720.915 0.0 30688.365999999998 0.0 25573.638333333332 0.0 0.0 15344.182999999999 15344.182999999999 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51147.276666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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799 196.0336314973584 7.55079 11221.533599999999 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 22443.067199999998 0.0 56107.668 0.0 11221.533599999999 11221.533599999999 0.0 0.0 0.0 0.0 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 0.0 37405.112 16030.762285714285 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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803 321.07319302202075 7.607593 60282.594999999994 0.0 0.0 177857.0 0.0 123555.975 0.0 123555.975 0.0 0.0 177857.0 0.0 123555.975 0.0 120565.18999999999 41185.325000000004 0.0 177857.0 60282.594999999994 60282.594999999994 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 0.0 247111.95 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 123555.975 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 123555.975 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 0.0 247111.95 0.0 0.0 200941.9833333333 86117.99285714285 0.0 0.0 0.0 355714.0 247111.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0
804 301.0705682642628 7.631828 22178.784 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 44357.568 0.0 110893.92 0.0 22178.784 22178.784 0.0 0.0 0.0 0.0 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 0.0 73929.28 31683.977142857144 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
805 319.0368945098625 7.6433043 14138.895 0.0 0.0 0.0 70694.475 0.0 70694.475 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 28277.79 23564.825 0.0 0.0 14138.895 14138.895 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141388.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141388.95 0.0 0.0 47129.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
806 975.5153287474716 7.647876 13402.606 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 26805.212 0.0 67013.03 0.0 13402.606 13402.606 0.0 0.0 0.0 0.0 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 0.0 44675.35333333333 19146.579999999998 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
807 619.1568775393844 7.6666884 17572.819 0.0 0.0 87864.095 0.0 0.0 0.0 0.0 0.0 0.0 87864.095 0.0 0.0 0.0 35145.638 0.0 0.0 87864.095 17572.819 17572.819 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 58576.06333333333 25104.027142857143 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
808 236.16217920022785 7.673634 13557.597 0.0 0.0 0.0 0.0 67787.985 0.0 67787.985 0.0 0.0 0.0 0.0 67787.985 27115.194 0.0 22595.995 0.0 0.0 13557.597 13557.597 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 33893.9925 0.0 0.0 19367.995714285713 45191.99 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 135575.97 0.0
809 250.11244689816976 7.6957273 10461.482 0.0 0.0 52307.41 0.0 0.0 0.0 0.0 0.0 0.0 52307.41 0.0 0.0 20922.964 0.0 0.0 0.0 52307.41 10461.482 10461.482 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26153.705 0.0 0.0 14944.974285714286 0.0 104614.82 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 104614.82 0.0 0.0
810 299.0912808966144 7.7568398 132803.912 0.0 139793.03 524226.53 0.0 0.0 0.0 0.0 0.0 139793.03 524226.53 0.0 0.0 0.0 265607.824 0.0 139793.03 524226.53 132803.912 132803.912 0.0 0.0 0.0 0.0 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 139793.03 0.0 0.0 0.0 0.0 1048453.06 0.0 0.0 139793.03 0.0 0.0 0.0 0.0 1048453.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 0.0 442679.7066666667 189719.8742857143 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
811 456.2960634182163 7.7587895 18212.153 0.0 0.0 91060.765 0.0 0.0 0.0 0.0 0.0 0.0 91060.765 0.0 0.0 36424.306 0.0 0.0 0.0 91060.765 18212.153 18212.153 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45530.3825 0.0 0.0 26017.36142857143 0.0 182121.53 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 182121.53 0.0 0.0
812 461.2514736497407 7.7587895 97309.05 0.0 0.0 486545.25 0.0 0.0 0.0 0.0 0.0 0.0 486545.25 0.0 0.0 194618.1 0.0 0.0 0.0 486545.25 97309.05 97309.05 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243272.625 0.0 0.0 139012.92857142858 0.0 973090.5 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 973090.5 0.0 0.0
813 290.0480682662112 7.8028545 30679.47 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 61358.94 0.0 0.0 153397.35 0.0 30679.47 30679.47 0.0 306794.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306794.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102264.90000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
814 381.1309267739109 7.8827686 26018.266 0.0 0.0 0.0 0.0 130091.33 0.0 130091.33 0.0 0.0 0.0 0.0 130091.33 52036.532 0.0 43363.776666666665 0.0 0.0 26018.266 26018.266 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 65045.665 0.0 0.0 37168.95142857143 86727.55333333333 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 260182.66 0.0
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816 512.3001842098995 7.904659 68102.67 340513.35 0.0 0.0 0.0 0.0 0.0 0.0 340513.35 0.0 0.0 0.0 0.0 0.0 136205.34 113504.45 0.0 0.0 68102.67 68102.67 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 170256.675 0.0 0.0 97289.52857142857 227008.9 0.0 0.0 0.0 0.0 340513.35 0.0 0.0 0.0 0.0 0.0 681026.7
817 534.282085108782 7.904659 16047.333999999999 80236.67 0.0 0.0 0.0 0.0 0.0 0.0 80236.67 0.0 0.0 0.0 0.0 0.0 32094.667999999998 26745.556666666667 0.0 0.0 16047.333999999999 16047.333999999999 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 40118.335 0.0 0.0 22924.762857142858 53491.113333333335 0.0 0.0 0.0 0.0 80236.67 0.0 0.0 0.0 0.0 0.0 160473.34
818 241.1047837099873 7.981749 48940.8486 90067.385 0.0 94654.725 59982.133 0.0 59982.133 0.0 90067.385 0.0 94654.725 59982.133 0.0 73888.844 23992.8532 50016.505999999994 0.0 94654.725 48940.8486 48940.8486 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 0.0 119964.266 0.0 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 59982.133 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 59982.133 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 0.0 119964.266 0.0 92361.055 39988.08866666667 0.0 52777.74571428571 60044.92333333333 189309.45 0.0 0.0 0.0 90067.385 189309.45 0.0 180134.77 189309.45 0.0 0.0
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827 305.02106049542647 8.290547 12945.411 0.0 0.0 0.0 64727.055 0.0 64727.055 0.0 0.0 0.0 0.0 64727.055 0.0 25890.822 0.0 21575.685 0.0 0.0 12945.411 12945.411 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43151.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
828 461.2509983667591 8.291775 191218.03340000001 0.0 0.0 956090.167 0.0 0.0 0.0 0.0 0.0 0.0 956090.167 0.0 0.0 363350.92000000004 19085.1468 0.0 0.0 956090.167 191218.03340000001 191218.03340000001 0.0 0.0 1816754.6 0.0 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 0.0 95425.734 0.0 0.0 454188.65 0.0 31808.577999999998 273168.61914285715 0.0 1816754.6 0.0 95425.734 0.0 0.0 1816754.6 0.0 0.0 1816754.6 0.0 0.0
829 635.4147090273183 8.340765 10844.115 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 21688.23 0.0 54220.575 0.0 10844.115 10844.115 0.0 0.0 0.0 0.0 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 0.0 36147.049999999996 15491.592857142856 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
830 781.4731483372441 8.340765 17227.642 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 34455.284 0.0 86138.21 0.0 17227.642 17227.642 0.0 0.0 0.0 0.0 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 0.0 57425.473333333335 24610.917142857146 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
831 930.5432148188522 8.340765 29602.6 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 59205.2 0.0 148013.0 0.0 29602.6 29602.6 0.0 0.0 0.0 0.0 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 0.0 98675.33333333333 42289.42857142857 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
832 519.7388765278088 8.357931 12125.1305 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 24250.261 0.0 60625.6525 0.0 12125.1305 12125.1305 0.0 0.0 0.0 0.0 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 0.0 40417.10166666666 17321.614999999998 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
833 182.9850727767784 8.358721 6797.5779999999995 0.0 0.0 0.0 0.0 33987.89 0.0 33987.89 0.0 0.0 0.0 0.0 33987.89 0.0 13595.155999999999 11329.296666666667 0.0 0.0 6797.5779999999995 6797.5779999999995 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33987.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33987.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 22658.593333333334 9710.825714285715 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0
834 511.7527014970733 8.373374 17154.807999999997 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 34309.615999999995 0.0 85774.04 0.0 17154.807999999997 17154.807999999997 0.0 0.0 0.0 0.0 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 0.0 57182.69333333333 24506.86857142857 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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837 965.507264579332 8.413536 62459.823 0.0 232824.14 0.0 0.0 79474.975 0.0 79474.975 0.0 232824.14 0.0 0.0 79474.975 0.0 124919.646 26491.658333333336 232824.14 0.0 62459.823 62459.823 0.0 0.0 0.0 0.0 0.0 0.0 465648.28 0.0 0.0 158949.95 0.0 232824.14 0.0 0.0 0.0 0.0 0.0 79474.975 0.0 232824.14 0.0 0.0 0.0 0.0 0.0 79474.975 0.0 0.0 0.0 0.0 0.0 0.0 465648.28 0.0 0.0 158949.95 0.0 0.0 208199.41 89228.31857142856 0.0 0.0 465648.28 0.0 158949.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0
838 228.1958348495089 8.427805 39020.338 0.0 0.0 0.0 0.0 195101.69 0.0 195101.69 0.0 0.0 0.0 0.0 195101.69 78040.676 0.0 65033.89666666667 0.0 0.0 39020.338 39020.338 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 97550.845 0.0 0.0 55743.340000000004 130067.79333333333 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 390203.38 0.0
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840 158.15395326113557 8.452183 64681.92 0.0 0.0 0.0 155755.05 167654.55 155755.05 167654.55 0.0 0.0 0.0 155755.05 167654.55 0.0 129363.84 107803.2 0.0 0.0 64681.92 64681.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311510.1 335309.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 323409.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 323409.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311510.1 335309.1 0.0 103836.7 111769.7 47901.299999999996 0.0 0.0 0.0 0.0 335309.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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846 797.4684345592628 8.708962 171296.031 0.0 0.0 0.0 757664.57 98815.585 757664.57 98815.585 0.0 0.0 0.0 757664.57 98815.585 106677.78799999999 235914.27399999998 285493.38499999995 0.0 0.0 171296.031 171296.031 0.0 0.0 0.0 533388.94 0.0 0.0 0.0 0.0 981940.2 197631.17 0.0 0.0 0.0 533388.94 0.0 0.0 0.0 589785.6849999999 0.0 0.0 0.0 533388.94 0.0 0.0 0.0 589785.6849999999 0.0 0.0 0.0 533388.94 0.0 0.0 0.0 0.0 981940.2 197631.17 0.0 505109.7133333333 65877.05666666667 28233.024285714288 0.0 0.0 0.0 0.0 197631.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0
847 819.450508731709 8.718657 27947.362 0.0 0.0 0.0 139736.81 0.0 139736.81 0.0 0.0 0.0 0.0 139736.81 0.0 0.0 55894.724 46578.93666666667 0.0 0.0 27947.362 27947.362 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 279473.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139736.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139736.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 279473.62 0.0 0.0 93157.87333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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912 851.3976131852527 9.774282 1438349.357 1402328.0 2268119.85 1081045.2349999999 1906254.4 533999.3 1906254.4 533999.3 1402328.0 2268119.85 1081045.2349999999 1906254.4 533999.3 1800792.7399999998 1075905.9740000002 1280860.5666666667 2268119.85 1081045.2349999999 1438349.357 1438349.357 1420136.2 2426724.5 1714787.0 3442316.0 0.0 1384519.8 2109515.2 447303.47 370192.8 1067998.6 1420136.2 2268119.85 1714787.0 3442316.0 0.0 1384519.8 447303.47 719095.7000000001 1420136.2 2268119.85 1714787.0 3442316.0 0.0 1384519.8 447303.47 719095.7000000001 1420136.2 2426724.5 1714787.0 3442316.0 0.0 1384519.8 2109515.2 447303.47 370192.8 1067998.6 1129860.75 2079744.4333333333 1208272.4233333336 1163465.7528571428 934885.3333333334 1714787.0 2109515.2 447303.47 1067998.6 1402328.0 1714787.0 0.0 1420136.2 1714787.0 0.0 1384519.8
913 460.2690104358057 9.776059 331838.829 615098.345 0.0 627927.05 164613.735 251555.015 164613.735 251555.015 615098.345 0.0 627927.05 164613.735 251555.015 284478.588 379199.06999999995 343755.6983333333 0.0 627927.05 331838.829 331838.829 629721.44 0.0 792671.5 0.0 0.0 600475.25 0.0 463182.6 329227.47 503110.03 629721.44 0.0 792671.5 0.0 0.0 600475.25 463182.6 416168.75 629721.44 0.0 792671.5 0.0 0.0 600475.25 463182.6 416168.75 629721.44 0.0 792671.5 0.0 0.0 600475.25 0.0 463182.6 329227.47 503110.03 505717.0475 109742.48999999999 322097.54333333333 427022.9742857143 410065.5633333333 792671.5 0.0 463182.6 503110.03 615098.345 792671.5 0.0 629721.44 792671.5 0.0 600475.25
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916 437.1931180046004 9.783684 2280710.59 2289545.0 2612592.75 2472742.8 2657091.35 1371581.05 2657091.35 1371581.05 2289545.0 2612592.75 2472742.8 2657091.35 1371581.05 2746189.2399999998 1815231.94 2106072.466666667 2612592.75 2472742.8 2280710.59 2280710.59 2498826.2 3009239.0 3472942.8 3865258.2 884680.0 2080263.8 2215946.5 1472542.8 1448924.5 1858482.1 2498826.2 2612592.75 3472942.8 3865258.2 884680.0 2080263.8 1472542.8 1653703.3 2498826.2 2612592.75 3472942.8 3865258.2 884680.0 2080263.8 1472542.8 1653703.3 2498826.2 3009239.0 3472942.8 3865258.2 884680.0 2080263.8 2215946.5 1472542.8 1448924.5 1858482.1 2234178.2 2774473.9 1848990.4666666668 2069097.7428571428 1821256.6666666667 3472942.8 2215946.5 1472542.8 1858482.1 2289545.0 3472942.8 884680.0 2498826.2 3472942.8 884680.0 2080263.8
917 416.2147532434371 9.786294 305890.32 0.0 1529451.6 0.0 0.0 0.0 0.0 0.0 0.0 1529451.6 0.0 0.0 0.0 0.0 611780.64 0.0 1529451.6 0.0 305890.32 305890.32 0.0 0.0 0.0 0.0 0.0 0.0 3058903.2 0.0 0.0 0.0 0.0 1529451.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1529451.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3058903.2 0.0 0.0 0.0 0.0 0.0 1019634.4 436986.17142857146 0.0 0.0 3058903.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
918 255.5820326691908 9.786346 43240.916 0.0 61507.93 0.0 154696.65 0.0 154696.65 0.0 0.0 61507.93 0.0 154696.65 0.0 86481.832 0.0 51565.549999999996 61507.93 0.0 43240.916 43240.916 0.0 123015.86 0.0 309393.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61507.93 0.0 309393.3 0.0 0.0 0.0 0.0 0.0 61507.93 0.0 309393.3 0.0 0.0 0.0 0.0 0.0 123015.86 0.0 309393.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144136.38666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
919 397.2007139584989 9.789166 21352.792 0.0 0.0 0.0 106763.96 0.0 106763.96 0.0 0.0 0.0 0.0 106763.96 0.0 42705.584 0.0 35587.98666666667 0.0 0.0 21352.792 21352.792 0.0 0.0 0.0 213527.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213527.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213527.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213527.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71175.97333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
920 426.19596524615054 9.789166 26757.940000000002 0.0 0.0 0.0 133789.7 0.0 133789.7 0.0 0.0 0.0 0.0 133789.7 0.0 53515.880000000005 0.0 44596.56666666667 0.0 0.0 26757.940000000002 26757.940000000002 0.0 0.0 0.0 267579.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267579.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267579.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267579.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89193.13333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
921 442.1708950518101 9.789166 32875.188 0.0 0.0 0.0 164375.94 0.0 164375.94 0.0 0.0 0.0 0.0 164375.94 0.0 65750.376 0.0 54791.98 0.0 0.0 32875.188 32875.188 0.0 0.0 0.0 328751.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328751.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328751.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328751.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109583.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
922 531.2737019945384 9.791323 138785.932 0.0 232300.03500000003 0.0 461629.625 0.0 461629.625 0.0 0.0 232300.03500000003 0.0 461629.625 0.0 237501.33 40070.534 153876.54166666666 232300.03500000003 0.0 138785.932 138785.932 0.0 264247.4 0.0 923259.25 0.0 0.0 200352.67 0.0 0.0 0.0 0.0 232300.03500000003 0.0 923259.25 0.0 0.0 0.0 0.0 0.0 232300.03500000003 0.0 923259.25 0.0 0.0 0.0 0.0 0.0 264247.4 0.0 923259.25 0.0 0.0 200352.67 0.0 0.0 0.0 0.0 395835.55 66784.22333333334 28621.81 0.0 0.0 200352.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
923 439.1995157253692 9.792842 9124.708999999999 0.0 0.0 45623.545 0.0 0.0 0.0 0.0 0.0 0.0 45623.545 0.0 0.0 18249.417999999998 0.0 0.0 0.0 45623.545 9124.708999999999 9124.708999999999 0.0 0.0 91247.09 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91247.09 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91247.09 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91247.09 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22811.7725 0.0 0.0 13035.298571428571 0.0 91247.09 0.0 0.0 0.0 0.0 91247.09 0.0 0.0 91247.09 0.0 0.0
924 515.1359302009578 9.793837 24032.8046 0.0 48974.883 0.0 71189.14 0.0 71189.14 0.0 0.0 48974.883 0.0 71189.14 0.0 48065.6092 0.0 23729.713333333333 48974.883 0.0 24032.8046 24032.8046 0.0 97949.766 0.0 142378.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48974.883 0.0 142378.28 0.0 0.0 0.0 0.0 0.0 48974.883 0.0 142378.28 0.0 0.0 0.0 0.0 0.0 97949.766 0.0 142378.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80109.34866666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
925 247.59592445971109 9.804038 88082.76999999999 0.0 0.0 0.0 440413.85 0.0 440413.85 0.0 0.0 0.0 0.0 440413.85 0.0 176165.53999999998 0.0 146804.61666666667 0.0 0.0 88082.76999999999 88082.76999999999 0.0 0.0 0.0 880827.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 880827.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 880827.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 880827.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 293609.23333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
926 453.1670904329496 9.808648 712231.1510000001 652149.3300000001 627245.2000000001 635035.065 999876.475 646849.685 999876.475 646849.685 652149.3300000001 627245.2000000001 635035.065 999876.475 646849.685 911882.442 512579.86 766291.8300000001 627245.2000000001 635035.065 712231.1510000001 712231.1510000001 623178.6 883187.06 805721.1 1472026.2 775299.25 681120.06 371303.34 464349.03 527726.75 518400.12 623178.6 627245.2000000001 805721.1 1472026.2 775299.25 681120.06 464349.03 523063.435 623178.6 627245.2000000001 805721.1 1472026.2 775299.25 681120.06 464349.03 523063.435 623178.6 883187.06 805721.1 1472026.2 775299.25 681120.06 371303.34 464349.03 527726.75 518400.12 721329.7525000001 960980.0033333333 451350.83 605624.5 693199.3033333333 805721.1 371303.34 464349.03 518400.12 652149.3300000001 805721.1 775299.25 623178.6 805721.1 775299.25 681120.06
927 603.8637474930263 9.8160305 479499.9 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 958999.8 0.0 2397499.5 0.0 479499.9 479499.9 0.0 0.0 0.0 0.0 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 0.0 1598333.0 684999.8571428572 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
928 235.06881979906208 9.819335 22239.025 0.0 0.0 0.0 111195.125 0.0 111195.125 0.0 0.0 0.0 0.0 111195.125 0.0 44478.05 0.0 37065.041666666664 0.0 0.0 22239.025 22239.025 0.0 0.0 0.0 222390.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222390.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222390.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222390.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74130.08333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
930 603.362262791613 9.831497 682384.75 0.0 3411923.75 0.0 0.0 0.0 0.0 0.0 0.0 3411923.75 0.0 0.0 0.0 0.0 1364769.5 0.0 3411923.75 0.0 682384.75 682384.75 0.0 0.0 0.0 0.0 0.0 0.0 6823847.5 0.0 0.0 0.0 0.0 3411923.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3411923.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6823847.5 0.0 0.0 0.0 0.0 0.0 2274615.8333333335 974835.3571428572 0.0 0.0 6823847.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
931 1271.658934101813 9.846384 43310.61 0.0 216553.05 0.0 0.0 0.0 0.0 0.0 0.0 216553.05 0.0 0.0 0.0 0.0 86621.22 0.0 216553.05 0.0 43310.61 43310.61 0.0 0.0 0.0 0.0 0.0 0.0 433106.1 0.0 0.0 0.0 0.0 216553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433106.1 0.0 0.0 0.0 0.0 0.0 144368.69999999998 61872.299999999996 0.0 0.0 433106.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
932 1272.6619449114903 9.846384 30034.971999999998 0.0 150174.86 0.0 0.0 0.0 0.0 0.0 0.0 150174.86 0.0 0.0 0.0 0.0 60069.943999999996 0.0 150174.86 0.0 30034.971999999998 30034.971999999998 0.0 0.0 0.0 0.0 0.0 0.0 300349.72 0.0 0.0 0.0 0.0 150174.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150174.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300349.72 0.0 0.0 0.0 0.0 0.0 100116.57333333332 42907.102857142854 0.0 0.0 300349.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
933 387.253101739062 9.854669 21124.473 0.0 0.0 105622.365 0.0 0.0 0.0 0.0 0.0 0.0 105622.365 0.0 0.0 42248.946 0.0 0.0 0.0 105622.365 21124.473 21124.473 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52811.1825 0.0 0.0 30177.818571428572 0.0 211244.73 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 211244.73 0.0 0.0
934 590.3148889020331 9.854669 18870.681 0.0 0.0 94353.405 0.0 0.0 0.0 0.0 0.0 0.0 94353.405 0.0 0.0 37741.362 0.0 0.0 0.0 94353.405 18870.681 18870.681 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47176.7025 0.0 0.0 26958.115714285716 0.0 188706.81 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 188706.81 0.0 0.0
935 758.469435658343 9.854669 15808.745 0.0 0.0 79043.725 0.0 0.0 0.0 0.0 0.0 0.0 79043.725 0.0 0.0 31617.49 0.0 0.0 0.0 79043.725 15808.745 15808.745 0.0 0.0 158087.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158087.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158087.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158087.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39521.8625 0.0 0.0 22583.92142857143 0.0 158087.45 0.0 0.0 0.0 0.0 158087.45 0.0 0.0 158087.45 0.0 0.0
936 763.4247245861778 9.854669 16883.5 0.0 0.0 84417.5 0.0 0.0 0.0 0.0 0.0 0.0 84417.5 0.0 0.0 33767.0 0.0 0.0 0.0 84417.5 16883.5 16883.5 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42208.75 0.0 0.0 24119.285714285714 0.0 168835.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 168835.0 0.0 0.0
937 422.2903342504855 9.869651 35352.794 0.0 0.0 176763.97 0.0 0.0 0.0 0.0 0.0 0.0 176763.97 0.0 0.0 70705.588 0.0 0.0 0.0 176763.97 35352.794 35352.794 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88381.985 0.0 0.0 50503.991428571426 0.0 353527.94 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 353527.94 0.0 0.0
938 427.24567796510496 9.869651 163925.84 0.0 0.0 819629.2 0.0 0.0 0.0 0.0 0.0 0.0 819629.2 0.0 0.0 327851.68 0.0 0.0 0.0 819629.2 163925.84 163925.84 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409814.6 0.0 0.0 234179.7714285714 0.0 1639258.4 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 1639258.4 0.0 0.0
939 459.308625131355 9.932218 30652.6 0.0 0.0 153263.0 0.0 0.0 0.0 0.0 0.0 0.0 153263.0 0.0 0.0 61305.2 0.0 0.0 0.0 153263.0 30652.6 30652.6 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76631.5 0.0 0.0 43789.42857142857 0.0 306526.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 306526.0 0.0 0.0
940 650.4257090615093 9.9409 27370.953 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 54741.906 0.0 136854.765 0.0 27370.953 27370.953 0.0 0.0 0.0 0.0 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 0.0 91236.51000000001 39101.361428571436 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
941 615.3885064313 9.955829 18869.033 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 37738.066 0.0 94345.165 0.0 18869.033 18869.033 0.0 0.0 0.0 0.0 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 0.0 62896.776666666665 26955.761428571426 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
942 633.3990977130824 9.955829 36262.825 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 72525.65 0.0 181314.125 0.0 36262.825 36262.825 0.0 0.0 0.0 0.0 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 0.0 120876.08333333333 51804.03571428572 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
943 794.4672695657947 9.996951 39795.388 0.0 0.0 198976.94 0.0 0.0 0.0 0.0 0.0 0.0 198976.94 0.0 0.0 79590.776 0.0 0.0 0.0 198976.94 39795.388 39795.388 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99488.47 0.0 0.0 56850.55428571429 0.0 397953.88 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 397953.88 0.0 0.0
944 789.5119864898744 10.0128975 16498.662 0.0 0.0 82493.31 0.0 0.0 0.0 0.0 0.0 0.0 82493.31 0.0 0.0 32997.324 0.0 0.0 0.0 82493.31 16498.662 16498.662 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41246.655 0.0 0.0 23569.51714285714 0.0 164986.62 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 164986.62 0.0 0.0
945 655.3374989860047 10.032701 40809.953 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 81619.906 0.0 204049.765 0.0 40809.953 40809.953 0.0 0.0 0.0 0.0 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 0.0 136033.17666666667 58299.93285714286 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
946 671.3079690772033 10.032701 96792.31999999999 0.0 483961.6 0.0 0.0 0.0 0.0 0.0 0.0 483961.6 0.0 0.0 0.0 0.0 193584.63999999998 0.0 483961.6 0.0 96792.31999999999 96792.31999999999 0.0 0.0 0.0 0.0 0.0 0.0 967923.2 0.0 0.0 0.0 0.0 483961.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 483961.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 967923.2 0.0 0.0 0.0 0.0 0.0 322641.06666666665 138274.74285714285 0.0 0.0 967923.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
947 1305.7205761791174 10.032701 12181.672999999999 0.0 60908.365 0.0 0.0 0.0 0.0 0.0 0.0 60908.365 0.0 0.0 0.0 0.0 24363.345999999998 0.0 60908.365 0.0 12181.672999999999 12181.672999999999 0.0 0.0 0.0 0.0 0.0 0.0 121816.73 0.0 0.0 0.0 0.0 60908.365 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60908.365 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121816.73 0.0 0.0 0.0 0.0 0.0 40605.57666666667 17402.39 0.0 0.0 121816.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
948 644.3482038714053 10.048265 229566.4 0.0 1147832.0 0.0 0.0 0.0 0.0 0.0 0.0 1147832.0 0.0 0.0 0.0 0.0 459132.8 0.0 1147832.0 0.0 229566.4 229566.4 0.0 0.0 0.0 0.0 0.0 0.0 2295664.0 0.0 0.0 0.0 0.0 1147832.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1147832.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2295664.0 0.0 0.0 0.0 0.0 0.0 765221.3333333334 327952.0 0.0 0.0 2295664.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
949 1287.6885878785254 10.048265 1085725.7 0.0 5428628.5 0.0 0.0 0.0 0.0 0.0 0.0 5428628.5 0.0 0.0 0.0 0.0 2171451.4 0.0 5428628.5 0.0 1085725.7 1085725.7 0.0 0.0 0.0 0.0 0.0 0.0 10857257.0 0.0 0.0 0.0 0.0 5428628.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5428628.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10857257.0 0.0 0.0 0.0 0.0 0.0 3619085.6666666665 1551036.7142857143 0.0 0.0 10857257.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
950 1304.7167512488788 10.048265 16188.235999999999 0.0 80941.18 0.0 0.0 0.0 0.0 0.0 0.0 80941.18 0.0 0.0 0.0 0.0 32376.471999999998 0.0 80941.18 0.0 16188.235999999999 16188.235999999999 0.0 0.0 0.0 0.0 0.0 0.0 161882.36 0.0 0.0 0.0 0.0 80941.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80941.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161882.36 0.0 0.0 0.0 0.0 0.0 53960.78666666666 23126.051428571427 0.0 0.0 161882.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
951 1309.6712329075713 10.048265 192064.38 0.0 960321.9 0.0 0.0 0.0 0.0 0.0 0.0 960321.9 0.0 0.0 0.0 0.0 384128.76 0.0 960321.9 0.0 192064.38 192064.38 0.0 0.0 0.0 0.0 0.0 0.0 1920643.8 0.0 0.0 0.0 0.0 960321.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 960321.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1920643.8 0.0 0.0 0.0 0.0 0.0 640214.6 274377.6857142857 0.0 0.0 1920643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
952 1325.6393320649222 10.048265 15978.855 0.0 79894.275 0.0 0.0 0.0 0.0 0.0 0.0 79894.275 0.0 0.0 0.0 0.0 31957.71 0.0 79894.275 0.0 15978.855 15978.855 0.0 0.0 0.0 0.0 0.0 0.0 159788.55 0.0 0.0 0.0 0.0 79894.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79894.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159788.55 0.0 0.0 0.0 0.0 0.0 53262.85 22826.93571428571 0.0 0.0 159788.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
953 1331.6533680995292 10.048265 20414.981 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 40829.962 0.0 102074.905 0.0 20414.981 20414.981 0.0 0.0 0.0 0.0 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 0.0 68049.93666666666 29164.25857142857 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
954 1341.6096907949031 10.048265 18351.560999999998 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 36703.121999999996 0.0 91757.805 0.0 18351.560999999998 18351.560999999998 0.0 0.0 0.0 0.0 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 0.0 61171.869999999995 26216.515714285713 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
955 403.2481958199659 10.060503 13505.376999999999 0.0 0.0 67526.885 0.0 0.0 0.0 0.0 0.0 0.0 67526.885 0.0 0.0 27010.753999999997 0.0 0.0 0.0 67526.885 13505.376999999999 13505.376999999999 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33763.4425 0.0 0.0 19293.395714285714 0.0 135053.77 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 135053.77 0.0 0.0
956 663.3217272814834 10.063488 53622.14 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 107244.28 0.0 268110.7 0.0 53622.14 53622.14 0.0 0.0 0.0 0.0 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 0.0 178740.46666666667 76603.05714285714 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
957 1332.655150134819 10.063488 16453.647 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 32907.294 0.0 82268.235 0.0 16453.647 16453.647 0.0 0.0 0.0 0.0 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 0.0 54845.49 23505.21 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
958 527.2980437459948 10.109143 12992.922999999999 0.0 0.0 64964.615 0.0 0.0 0.0 0.0 0.0 0.0 64964.615 0.0 0.0 25985.845999999998 0.0 0.0 0.0 64964.615 12992.922999999999 12992.922999999999 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32482.3075 0.0 0.0 18561.318571428572 0.0 129929.23 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 129929.23 0.0 0.0
959 1285.6745036433988 10.142878 66257.05600000001 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 132514.11200000002 0.0 331285.28 0.0 66257.05600000001 66257.05600000001 0.0 0.0 0.0 0.0 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 0.0 220856.85333333336 94652.93714285715 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
960 1286.6776986504044 10.142878 46198.694 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 92397.388 0.0 230993.47 0.0 46198.694 46198.694 0.0 0.0 0.0 0.0 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 0.0 153995.64666666667 65998.13428571429 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
961 289.17748246908883 10.156666 19009.155 0.0 0.0 95045.775 0.0 0.0 0.0 0.0 0.0 0.0 95045.775 0.0 0.0 38018.31 0.0 0.0 0.0 95045.775 19009.155 19009.155 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47522.8875 0.0 0.0 27155.93571428571 0.0 190091.55 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 190091.55 0.0 0.0
962 511.3030978360939 10.17248 10997.680499999999 0.0 0.0 54988.4025 0.0 0.0 0.0 0.0 0.0 0.0 54988.4025 0.0 0.0 21995.360999999997 0.0 0.0 0.0 54988.4025 10997.680499999999 10997.680499999999 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27494.20125 0.0 0.0 15710.972142857141 0.0 109976.805 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 109976.805 0.0 0.0
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964 1301.705552032887 10.22339 65854.206 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 131708.412 0.0 329271.03 0.0 65854.206 65854.206 0.0 0.0 0.0 0.0 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 0.0 219514.02000000002 94077.43714285715 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
970 511.30302463340274 10.644516 47546.238 0.0 0.0 237731.19 0.0 0.0 0.0 0.0 0.0 0.0 237731.19 0.0 0.0 95092.476 0.0 0.0 0.0 237731.19 47546.238 47546.238 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118865.595 0.0 0.0 67923.19714285714 0.0 475462.38 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 475462.38 0.0 0.0
971 405.2796805391226 10.660331 8722.034 0.0 0.0 43610.17 0.0 0.0 0.0 0.0 0.0 0.0 43610.17 0.0 0.0 17444.068 0.0 0.0 0.0 43610.17 8722.034 8722.034 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21805.085 0.0 0.0 12460.048571428571 0.0 87220.34 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 87220.34 0.0 0.0
972 814.5082630208069 10.69194 13204.210000000001 0.0 0.0 66021.05 0.0 0.0 0.0 0.0 0.0 0.0 66021.05 0.0 0.0 26408.420000000002 0.0 0.0 0.0 66021.05 13204.210000000001 13204.210000000001 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33010.525 0.0 0.0 18863.157142857144 0.0 132042.1 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 132042.1 0.0 0.0
973 774.4647803457378 10.707772 8736.0055 0.0 0.0 43680.0275 0.0 0.0 0.0 0.0 0.0 0.0 43680.0275 0.0 0.0 17472.011 0.0 0.0 0.0 43680.0275 8736.0055 8736.0055 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21840.01375 0.0 0.0 12480.007857142857 0.0 87360.055 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 87360.055 0.0 0.0
977 518.287159751831 10.901979 28064.379999999997 140321.9 0.0 0.0 0.0 0.0 0.0 0.0 140321.9 0.0 0.0 0.0 0.0 0.0 56128.759999999995 46773.96666666667 0.0 0.0 28064.379999999997 28064.379999999997 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 70160.95 0.0 0.0 40091.97142857143 93547.93333333333 0.0 0.0 0.0 0.0 140321.9 0.0 0.0 0.0 0.0 0.0 280643.8
978 790.4954924478108 10.931659 13904.347 0.0 0.0 69521.735 0.0 0.0 0.0 0.0 0.0 0.0 69521.735 0.0 0.0 27808.694 0.0 0.0 0.0 69521.735 13904.347 13904.347 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34760.8675 0.0 0.0 19863.352857142858 0.0 139043.47 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 139043.47 0.0 0.0
979 496.305310947292 10.935737 61809.645000000004 309048.22500000003 0.0 0.0 0.0 0.0 0.0 0.0 309048.22500000003 0.0 0.0 0.0 0.0 29140.484000000004 94478.80600000001 103016.07500000001 0.0 0.0 61809.645000000004 61809.645000000004 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 0.0 0.0 154524.11250000002 0.0 0.0 88299.49285714286 206032.15000000002 0.0 0.0 0.0 0.0 309048.22500000003 0.0 0.0 145702.42 0.0 0.0 472394.03
980 742.4740126727015 10.980523 8788.983 0.0 0.0 43944.915 0.0 0.0 0.0 0.0 0.0 0.0 43944.915 0.0 0.0 17577.966 0.0 0.0 0.0 43944.915 8788.983 8788.983 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21972.4575 0.0 0.0 12555.69 0.0 87889.83 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 87889.83 0.0 0.0
982 509.28704688669086 11.209969 190191.05800000002 0.0 0.0 855127.97 0.0 95827.32 0.0 95827.32 0.0 0.0 855127.97 0.0 95827.32 197794.428 182587.688 31942.440000000002 0.0 855127.97 190191.05800000002 190191.05800000002 0.0 0.0 797317.5 0.0 191654.64 0.0 0.0 912938.44 0.0 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 912938.44 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 912938.44 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 0.0 912938.44 0.0 0.0 247243.035 0.0 304312.8133333333 271701.5114285714 63884.880000000005 797317.5 0.0 912938.44 0.0 0.0 797317.5 191654.64 0.0 797317.5 191654.64 0.0
983 242.2842237702078 11.217996 11451.599 0.0 0.0 0.0 57257.995 0.0 57257.995 0.0 0.0 0.0 0.0 57257.995 0.0 22903.198 0.0 19085.998333333333 0.0 0.0 11451.599 11451.599 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38171.996666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
984 402.3575059506669 11.264401 10039.4414 50197.207 0.0 0.0 0.0 0.0 0.0 0.0 50197.207 0.0 0.0 0.0 0.0 0.0 20078.8828 16732.402333333335 0.0 0.0 10039.4414 10039.4414 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 25098.6035 0.0 0.0 14342.059142857144 33464.80466666667 0.0 0.0 0.0 0.0 50197.207 0.0 0.0 0.0 0.0 0.0 100394.414
985 453.3251704003302 11.268671 13892.753 0.0 0.0 69463.765 0.0 0.0 0.0 0.0 0.0 0.0 69463.765 0.0 0.0 27785.506 0.0 0.0 0.0 69463.765 13892.753 13892.753 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34731.8825 0.0 0.0 19846.79 0.0 138927.53 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 138927.53 0.0 0.0
986 260.1308376356659 11.273818 19711.867000000002 0.0 0.0 0.0 0.0 98559.335 0.0 98559.335 0.0 0.0 0.0 0.0 98559.335 39423.734000000004 0.0 32853.11166666667 0.0 0.0 19711.867000000002 19711.867000000002 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 49279.6675 0.0 0.0 28159.81 65706.22333333334 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 197118.67 0.0
987 510.2898270197975 11.278776 26190.392 0.0 0.0 130951.96 0.0 0.0 0.0 0.0 0.0 0.0 130951.96 0.0 0.0 0.0 52380.784 0.0 0.0 130951.96 26190.392 26190.392 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 87301.30666666667 37414.845714285715 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
988 457.2771336405716 11.286811 626073.6 0.0 0.0 1499238.0 0.0 1631130.0 0.0 1631130.0 0.0 0.0 1499238.0 0.0 1631130.0 1252147.2 0.0 543710.0 0.0 1499238.0 626073.6 626073.6 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 1565184.0 0.0 0.0 894390.8571428572 1087420.0 2998476.0 0.0 0.0 0.0 0.0 2998476.0 3262260.0 0.0 2998476.0 3262260.0 0.0
989 452.3217380678354 11.295949 218292.23899999997 0.0 0.0 363982.72 448667.85 278810.625 448667.85 278810.625 0.0 0.0 363982.72 448667.85 278810.625 436584.47799999994 0.0 242492.82499999998 0.0 363982.72 218292.23899999997 218292.23899999997 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 321396.6725 299111.89999999997 0.0 183655.24142857143 185873.75 727965.44 0.0 0.0 0.0 0.0 727965.44 557621.25 0.0 727965.44 557621.25 0.0
990 261.13877720953616 11.2986355 9003.103 0.0 0.0 0.0 45015.515 0.0 45015.515 0.0 0.0 0.0 0.0 45015.515 0.0 18006.206 0.0 15005.171666666667 0.0 0.0 9003.103 9003.103 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30010.343333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
991 435.2949553538487 11.2986355 24060.47 0.0 0.0 0.0 120302.35 0.0 120302.35 0.0 0.0 0.0 0.0 120302.35 0.0 48120.94 0.0 40100.78333333333 0.0 0.0 24060.47 24060.47 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80201.56666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
992 473.2510209364093 11.304951 24060.71 0.0 0.0 0.0 0.0 120303.55 0.0 120303.55 0.0 0.0 0.0 0.0 120303.55 48121.42 0.0 40101.183333333334 0.0 0.0 24060.71 24060.71 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 60151.775 0.0 0.0 34372.44285714286 80202.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 240607.1 0.0
993 494.32407430305386 11.396981 21959.678 0.0 0.0 109798.39 0.0 0.0 0.0 0.0 0.0 0.0 109798.39 0.0 0.0 43919.356 0.0 0.0 0.0 109798.39 21959.678 21959.678 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54899.195 0.0 0.0 31370.96857142857 0.0 219596.78 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 219596.78 0.0 0.0
994 466.33137520980347 11.464339 42132.314 0.0 0.0 126693.305 0.0 83968.265 0.0 83968.265 0.0 0.0 126693.305 0.0 83968.265 50677.322 33587.306 27989.421666666665 0.0 126693.305 42132.314 42132.314 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 0.0 0.0 167936.53 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 83968.265 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 83968.265 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 0.0 0.0 167936.53 63346.6525 0.0 55978.84333333333 60189.020000000004 0.0 253386.61 0.0 0.0 167936.53 0.0 253386.61 0.0 0.0 253386.61 0.0 0.0
995 421.2324168645514 11.473236 67947.464 79745.71 0.0 0.0 0.0 259991.61 0.0 259991.61 79745.71 0.0 0.0 0.0 259991.61 135894.928 0.0 113245.77333333333 0.0 0.0 67947.464 67947.464 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 0.0 0.0 169868.66 0.0 0.0 97067.80571428571 226491.54666666666 0.0 0.0 0.0 0.0 79745.71 0.0 519983.22 159491.42 0.0 519983.22 0.0
996 402.3577225964965 11.51091 44063.520000000004 0.0 0.0 0.0 140299.53 80018.07 140299.53 80018.07 0.0 0.0 0.0 140299.53 80018.07 88127.04000000001 0.0 73439.2 0.0 0.0 44063.520000000004 44063.520000000004 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 40009.035 93533.02 0.0 22862.305714285718 53345.380000000005 0.0 0.0 0.0 0.0 0.0 0.0 160036.14 0.0 0.0 160036.14 0.0
997 399.2505275759038 11.527994 31219.379999999997 0.0 0.0 0.0 0.0 156096.9 0.0 156096.9 0.0 0.0 0.0 0.0 156096.9 62438.759999999995 0.0 52032.299999999996 0.0 0.0 31219.379999999997 31219.379999999997 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 78048.45 0.0 0.0 44599.114285714284 104064.59999999999 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 312193.8 0.0
998 448.28452821206105 11.605588 59893.43000000001 0.0 0.0 299467.15 0.0 0.0 0.0 0.0 0.0 0.0 299467.15 0.0 0.0 119786.86000000002 0.0 0.0 0.0 299467.15 59893.43000000001 59893.43000000001 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149733.575 0.0 0.0 85562.04285714286 0.0 598934.3 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 598934.3 0.0 0.0
999 470.2663950641647 11.605588 20087.402 0.0 0.0 100437.01 0.0 0.0 0.0 0.0 0.0 0.0 100437.01 0.0 0.0 40174.804 0.0 0.0 0.0 100437.01 20087.402 20087.402 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50218.505 0.0 0.0 28696.28857142857 0.0 200874.02 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 200874.02 0.0 0.0
1000 389.1115023242791 11.624549 34361.176 104381.05 0.0 0.0 0.0 67424.83 0.0 67424.83 104381.05 0.0 0.0 0.0 67424.83 41752.42 26969.932 57268.62666666667 0.0 0.0 34361.176 34361.176 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134849.66 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 67424.83 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 67424.83 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134849.66 52190.525 0.0 44949.886666666665 49087.39428571429 69587.36666666667 0.0 0.0 0.0 134849.66 104381.05 0.0 0.0 208762.1 0.0 0.0 0.0
1001 615.3501494849968 11.672222 14593.712 0.0 0.0 0.0 72968.56 0.0 72968.56 0.0 0.0 0.0 0.0 72968.56 0.0 29187.424 0.0 24322.853333333333 0.0 0.0 14593.712 14593.712 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48645.706666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1002 411.0935170573201 11.681445 206981.489 445628.4 71994.53 0.0 328487.095 188797.42 328487.095 188797.42 445628.4 71994.53 0.0 328487.095 188797.42 268000.06 145962.918 320970.9716666667 71994.53 0.0 206981.489 206981.489 891256.8 143989.06 0.0 304754.44 0.0 0.0 0.0 0.0 352219.75 377594.84 891256.8 71994.53 0.0 304754.44 0.0 0.0 0.0 364907.29500000004 891256.8 71994.53 0.0 304754.44 0.0 0.0 0.0 364907.29500000004 891256.8 143989.06 0.0 304754.44 0.0 0.0 0.0 0.0 352219.75 377594.84 222814.2 266987.75 125864.94666666667 181264.52000000002 297085.60000000003 0.0 0.0 0.0 377594.84 445628.4 0.0 0.0 891256.8 0.0 0.0 0.0
1003 284.3310476484815 11.684862 132450.994 115972.72 0.0 546282.25 0.0 0.0 0.0 0.0 115972.72 0.0 546282.25 0.0 0.0 264901.988 0.0 38657.573333333334 0.0 546282.25 132450.994 132450.994 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 331127.485 0.0 0.0 189215.7057142857 77315.14666666667 1092564.5 0.0 0.0 0.0 115972.72 1092564.5 0.0 231945.44 1092564.5 0.0 0.0
1004 597.339606268155 11.688269 14912.381 0.0 0.0 0.0 74561.905 0.0 74561.905 0.0 0.0 0.0 0.0 74561.905 0.0 29824.762 0.0 24853.968333333334 0.0 0.0 14912.381 14912.381 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49707.93666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1006 464.2792249635485 11.728564 212734.17400000003 0.0 0.0 877534.4 0.0 186136.47 0.0 186136.47 0.0 0.0 877534.4 0.0 186136.47 351013.76 74454.588 62045.49 0.0 877534.4 212734.17400000003 212734.17400000003 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 0.0 0.0 372272.94 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 186136.47 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 186136.47 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 0.0 0.0 372272.94 438767.2 0.0 124090.98 303905.9628571429 0.0 1755068.8 0.0 0.0 372272.94 0.0 1755068.8 0.0 0.0 1755068.8 0.0 0.0
1007 486.2611680019917 11.747965 15662.173 0.0 0.0 78310.865 0.0 0.0 0.0 0.0 0.0 0.0 78310.865 0.0 0.0 31324.346 0.0 0.0 0.0 78310.865 15662.173 15662.173 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39155.4325 0.0 0.0 22374.532857142858 0.0 156621.73 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 156621.73 0.0 0.0
1008 495.30793434333935 11.778661 48705.1 0.0 0.0 243525.5 0.0 0.0 0.0 0.0 0.0 0.0 243525.5 0.0 0.0 97410.2 0.0 0.0 0.0 243525.5 48705.1 48705.1 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121762.75 0.0 0.0 69578.71428571429 0.0 487051.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 487051.0 0.0 0.0
1009 275.1545427241122 11.797543 107382.178 0.0 0.0 93698.99 443211.9 0.0 443211.9 0.0 0.0 0.0 93698.99 443211.9 0.0 214764.356 0.0 147737.30000000002 0.0 93698.99 107382.178 107382.178 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 46849.495 295474.60000000003 0.0 26771.140000000003 0.0 187397.98 0.0 0.0 0.0 0.0 187397.98 0.0 0.0 187397.98 0.0 0.0
1010 274.14673399593823 11.816423 69554.03 0.0 0.0 0.0 347770.15 0.0 347770.15 0.0 0.0 0.0 0.0 347770.15 0.0 139108.06 0.0 115923.38333333335 0.0 0.0 69554.03 69554.03 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 231846.7666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1011 276.1578126574702 11.816423 13185.464000000002 0.0 0.0 0.0 65927.32 0.0 65927.32 0.0 0.0 0.0 0.0 65927.32 0.0 26370.928000000004 0.0 21975.773333333334 0.0 0.0 13185.464000000002 13185.464000000002 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43951.54666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1013 327.15338548498613 11.999347 28925.45 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 27888.816 29962.084000000003 0.0 144627.25 0.0 28925.45 28925.45 0.0 139444.08 0.0 0.0 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139444.08 0.0 0.0 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 46481.35999999999 49936.80666666667 21401.488571428574 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1014 634.4519868958109 12.08935 35767.189 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 35549.268 35985.11 0.0 178835.945 0.0 35767.189 35767.189 0.0 177746.34 0.0 0.0 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 177746.34 0.0 0.0 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 59248.78 59975.18333333333 25703.649999999998 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1015 524.3706648204582 12.113107 14444.457999999999 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 28888.915999999997 0.0 72222.29 0.0 14444.457999999999 14444.457999999999 0.0 0.0 0.0 0.0 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 0.0 48148.19333333333 20634.94 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1016 590.4257726139541 12.1199045 102319.978 73963.765 437636.125 0.0 0.0 0.0 0.0 0.0 73963.765 437636.125 0.0 0.0 0.0 93458.344 111181.61200000001 24654.588333333333 437636.125 0.0 102319.978 102319.978 0.0 467291.72 0.0 0.0 0.0 147927.53 407980.53 0.0 0.0 0.0 0.0 437636.125 0.0 0.0 0.0 147927.53 0.0 0.0 0.0 437636.125 0.0 0.0 0.0 147927.53 0.0 0.0 0.0 467291.72 0.0 0.0 0.0 147927.53 407980.53 0.0 0.0 0.0 36981.8825 155763.90666666665 135993.51 79415.43714285715 49309.176666666666 0.0 407980.53 0.0 0.0 73963.765 0.0 0.0 0.0 0.0 0.0 147927.53
1017 702.4786320366586 12.162375 28251.988 0.0 0.0 141259.94 0.0 0.0 0.0 0.0 0.0 0.0 141259.94 0.0 0.0 56503.976 0.0 0.0 0.0 141259.94 28251.988 28251.988 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70629.97 0.0 0.0 40359.98285714286 0.0 282519.88 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 282519.88 0.0 0.0
1018 546.3996140706049 12.162639 30017.24 150086.2 0.0 0.0 0.0 0.0 0.0 0.0 150086.2 0.0 0.0 0.0 0.0 0.0 60034.48 50028.73333333334 0.0 0.0 30017.24 30017.24 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 75043.1 0.0 0.0 42881.77142857143 100057.46666666667 0.0 0.0 0.0 0.0 150086.2 0.0 0.0 0.0 0.0 0.0 300172.4
1019 326.37811154272424 12.197108 10310.773 0.0 0.0 0.0 0.0 51553.865 0.0 51553.865 0.0 0.0 0.0 0.0 51553.865 20621.546 0.0 17184.621666666666 0.0 0.0 10310.773 10310.773 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 25776.9325 0.0 0.0 14729.675714285713 34369.24333333333 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 103107.73 0.0
1020 502.3734225871902 12.210926 46950.012 234750.06 0.0 0.0 0.0 0.0 0.0 0.0 234750.06 0.0 0.0 0.0 0.0 0.0 93900.024 78250.02 0.0 0.0 46950.012 46950.012 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 117375.03 0.0 0.0 67071.44571428571 156500.04 0.0 0.0 0.0 0.0 234750.06 0.0 0.0 0.0 0.0 0.0 469500.12
1021 510.3631044157189 12.212139 22973.419 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 45946.838 0.0 0.0 114867.095 0.0 22973.419 22973.419 0.0 229734.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 229734.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76578.06333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1022 324.28956058500165 12.217496 12878.075 0.0 0.0 0.0 64390.375 0.0 64390.375 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 25756.15 21463.458333333332 0.0 0.0 12878.075 12878.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128780.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128780.75 0.0 0.0 42926.916666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1023 507.3286666557757 12.219755 21517.4426 0.0 107587.21299999999 0.0 0.0 0.0 0.0 0.0 0.0 107587.21299999999 0.0 0.0 0.0 21093.018 21941.8672 0.0 107587.21299999999 0.0 21517.4426 21517.4426 0.0 105465.09 0.0 0.0 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 107587.21299999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107587.21299999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 105465.09 0.0 0.0 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 35155.03 36569.778666666665 15672.762285714285 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1025 414.321035594633 12.242403 29038.894 145194.47 0.0 0.0 0.0 0.0 0.0 0.0 145194.47 0.0 0.0 0.0 0.0 0.0 58077.788 48398.15666666667 0.0 0.0 29038.894 29038.894 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 72597.235 0.0 0.0 41484.13428571429 96796.31333333334 0.0 0.0 0.0 0.0 145194.47 0.0 0.0 0.0 0.0 0.0 290388.94
1026 463.3026468518157 12.248345 81621.793 101525.14 306583.825 0.0 0.0 0.0 0.0 0.0 101525.14 306583.825 0.0 0.0 0.0 61117.25 102126.33600000001 33841.71333333333 306583.825 0.0 81621.793 81621.793 0.0 305586.25 0.0 0.0 0.0 203050.28 307581.4 0.0 0.0 0.0 0.0 306583.825 0.0 0.0 0.0 203050.28 0.0 0.0 0.0 306583.825 0.0 0.0 0.0 203050.28 0.0 0.0 0.0 305586.25 0.0 0.0 0.0 203050.28 307581.4 0.0 0.0 0.0 50762.57 101862.08333333333 102527.13333333335 72947.38285714286 67683.42666666667 0.0 307581.4 0.0 0.0 101525.14 0.0 0.0 0.0 0.0 0.0 203050.28
1028 270.3154984359321 12.255567 40020.894 0.0 0.0 0.0 200104.47 0.0 200104.47 0.0 0.0 0.0 0.0 200104.47 0.0 80041.788 0.0 66701.49 0.0 0.0 40020.894 40020.894 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133402.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1029 397.29446425629897 12.277075 9629.058 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 19258.116 0.0 0.0 48145.29 0.0 9629.058 9629.058 0.0 96290.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 96290.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32096.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1030 370.2948778591532 12.284624 50915.905000000006 0.0 254579.52500000002 0.0 0.0 0.0 0.0 0.0 0.0 254579.52500000002 0.0 0.0 0.0 57411.406 44420.403999999995 0.0 254579.52500000002 0.0 50915.905000000006 50915.905000000006 0.0 287057.03 0.0 0.0 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 254579.52500000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 254579.52500000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 287057.03 0.0 0.0 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 95685.67666666668 74034.00666666667 31728.859999999997 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1032 600.4680196911258 12.28926 14220.885999999999 0.0 0.0 0.0 71104.43 0.0 71104.43 0.0 0.0 0.0 0.0 71104.43 0.0 28441.771999999997 0.0 23701.476666666666 0.0 0.0 14220.885999999999 14220.885999999999 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47402.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1033 288.1622605222652 12.290423 125359.19399999999 0.0 0.0 330834.78 149400.44 146560.75 149400.44 146560.75 0.0 0.0 330834.78 149400.44 146560.75 250718.38799999998 0.0 98653.73 0.0 330834.78 125359.19399999999 125359.19399999999 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 238697.765 99600.29333333333 0.0 136398.72285714286 97707.16666666667 661669.56 0.0 0.0 0.0 0.0 661669.56 293121.5 0.0 661669.56 293121.5 0.0
1034 289.1700497133576 12.304762 50675.846999999994 0.0 0.0 0.0 253379.235 0.0 253379.235 0.0 0.0 0.0 0.0 253379.235 0.0 101351.69399999999 0.0 84459.745 0.0 0.0 50675.846999999994 50675.846999999994 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168919.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1035 457.36743192382727 12.397192 38437.871999999996 0.0 0.0 0.0 192189.36 0.0 192189.36 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 76875.74399999999 64063.119999999995 0.0 0.0 38437.871999999996 38437.871999999996 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384378.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384378.72 0.0 0.0 128126.23999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1036 424.3632783418536 12.433033 10828.242999999999 0.0 0.0 54141.215 0.0 0.0 0.0 0.0 0.0 0.0 54141.215 0.0 0.0 21656.485999999997 0.0 0.0 0.0 54141.215 10828.242999999999 10828.242999999999 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27070.6075 0.0 0.0 15468.91857142857 0.0 108282.43 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 108282.43 0.0 0.0
1037 429.3185990643349 12.433033 14189.944 0.0 0.0 70949.72 0.0 0.0 0.0 0.0 0.0 0.0 70949.72 0.0 0.0 28379.888 0.0 0.0 0.0 70949.72 14189.944 14189.944 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35474.86 0.0 0.0 20271.34857142857 0.0 141899.44 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 141899.44 0.0 0.0
1039 385.292831597909 12.448705 9192.311 0.0 0.0 45961.555 0.0 0.0 0.0 0.0 0.0 0.0 45961.555 0.0 0.0 18384.622 0.0 0.0 0.0 45961.555 9192.311 9192.311 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22980.7775 0.0 0.0 13131.872857142856 0.0 91923.11 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 91923.11 0.0 0.0
1040 644.4942155582969 12.468379 11927.8875 0.0 0.0 0.0 0.0 59639.4375 0.0 59639.4375 0.0 0.0 0.0 0.0 59639.4375 23855.775 0.0 19879.8125 0.0 0.0 11927.8875 11927.8875 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 29819.71875 0.0 0.0 17039.839285714286 39759.625 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 119278.875 0.0
1041 556.4414739254747 12.468414 37073.1514 0.0 48145.492 0.0 0.0 137220.265 0.0 137220.265 0.0 48145.492 0.0 0.0 137220.265 54888.10600000001 19258.196799999998 45740.08833333334 48145.492 0.0 37073.1514 37073.1514 0.0 0.0 0.0 0.0 274440.53 0.0 96290.984 0.0 0.0 0.0 0.0 48145.492 0.0 0.0 274440.53 0.0 0.0 0.0 0.0 48145.492 0.0 0.0 274440.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274440.53 0.0 96290.984 0.0 0.0 0.0 68610.1325 0.0 32096.994666666666 52961.64485714286 91480.17666666668 0.0 96290.984 0.0 0.0 0.0 0.0 274440.53 0.0 0.0 274440.53 0.0
1043 341.26620150413004 12.480114 11036.766 0.0 0.0 55183.83 0.0 0.0 0.0 0.0 0.0 0.0 55183.83 0.0 0.0 22073.532 0.0 0.0 0.0 55183.83 11036.766 11036.766 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27591.915 0.0 0.0 15766.808571428572 0.0 110367.66 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 110367.66 0.0 0.0
1044 600.4679479134497 12.515582 18777.192000000003 0.0 0.0 0.0 0.0 93885.96 0.0 93885.96 0.0 0.0 0.0 0.0 93885.96 37554.384000000005 0.0 31295.320000000003 0.0 0.0 18777.192000000003 18777.192000000003 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 46942.98 0.0 0.0 26824.56 62590.64000000001 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 187771.92 0.0
1045 312.3623289724384 12.536865 241895.66 0.0 0.0 0.0 602909.9 606568.4 602909.9 606568.4 0.0 0.0 0.0 602909.9 606568.4 0.0 483791.32 403159.43333333335 0.0 0.0 241895.66 241895.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1205819.8 1213136.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1209478.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1209478.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1205819.8 1213136.8 0.0 401939.93333333335 404378.93333333335 173305.25714285715 0.0 0.0 0.0 0.0 1213136.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1046 726.4786569637139 12.5753355 305181.98 0.0 0.0 1525909.9 0.0 0.0 0.0 0.0 0.0 0.0 1525909.9 0.0 0.0 610363.96 0.0 0.0 0.0 1525909.9 305181.98 305181.98 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 762954.95 0.0 0.0 435974.2571428571 0.0 3051819.8 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 3051819.8 0.0 0.0
1047 731.4339927570019 12.5753355 136282.91 0.0 0.0 681414.55 0.0 0.0 0.0 0.0 0.0 0.0 681414.55 0.0 0.0 272565.82 0.0 0.0 0.0 681414.55 136282.91 136282.91 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340707.275 0.0 0.0 194689.87142857144 0.0 1362829.1 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 1362829.1 0.0 0.0
1048 424.3631089798776 12.582023 79178.209 0.0 163105.03 0.0 76105.25 156680.765 76105.25 156680.765 0.0 163105.03 0.0 76105.25 156680.765 127946.452 30409.965999999997 77595.33833333333 163105.03 0.0 79178.209 79178.209 0.0 174160.23 0.0 152210.5 313361.53 0.0 152049.83 0.0 0.0 0.0 0.0 163105.03 0.0 152210.5 313361.53 0.0 0.0 0.0 0.0 163105.03 0.0 152210.5 313361.53 0.0 0.0 0.0 0.0 174160.23 0.0 152210.5 313361.53 0.0 152049.83 0.0 0.0 0.0 78340.3825 108790.24333333333 50683.276666666665 66487.33714285714 104453.84333333334 0.0 152049.83 0.0 0.0 0.0 0.0 313361.53 0.0 0.0 313361.53 0.0
1038 512.4154152919727 12.59534 39319.43 0.0 0.0 0.0 0.0 196597.15 0.0 196597.15 0.0 0.0 0.0 0.0 196597.15 78638.86 0.0 65532.38333333333 0.0 0.0 39319.43 39319.43 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 98298.575 0.0 0.0 56170.614285714284 131064.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 393194.3 0.0
1049 517.3707448099397 12.59534 15010.260999999999 0.0 0.0 0.0 0.0 75051.305 0.0 75051.305 0.0 0.0 0.0 0.0 75051.305 30020.521999999997 0.0 25017.101666666666 0.0 0.0 15010.260999999999 15010.260999999999 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 37525.6525 0.0 0.0 21443.23 50034.20333333333 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 150102.61 0.0
1042 468.3892080240349 12.627494 36910.962 0.0 0.0 0.0 0.0 184554.81 0.0 184554.81 0.0 0.0 0.0 0.0 184554.81 73821.924 0.0 61518.27 0.0 0.0 36910.962 36910.962 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 92277.405 0.0 0.0 52729.94571428571 123036.54 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 369109.62 0.0
1050 473.3446248890272 12.627494 32877.484000000004 0.0 0.0 0.0 0.0 164387.42 0.0 164387.42 0.0 0.0 0.0 0.0 164387.42 65754.96800000001 0.0 54795.80666666667 0.0 0.0 32877.484000000004 32877.484000000004 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 82193.71 0.0 0.0 46967.83428571429 109591.61333333334 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 328774.84 0.0
1051 403.232374374816 12.668085 57761.840000000004 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 56972.880000000005 58550.8 0.0 288809.2 0.0 57761.840000000004 57761.840000000004 0.0 284864.4 0.0 0.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284864.4 0.0 0.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 94954.8 97584.66666666667 41822.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1052 429.3185156600973 12.6682 65868.236 0.0 0.0 0.0 61446.88 267894.3 61446.88 267894.3 0.0 0.0 0.0 61446.88 267894.3 131736.472 0.0 109780.39333333333 0.0 0.0 65868.236 65868.236 0.0 0.0 0.0 122893.76 535788.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122893.76 535788.6 0.0 0.0 0.0 0.0 0.0 0.0 122893.76 535788.6 0.0 0.0 0.0 0.0 0.0 0.0 122893.76 535788.6 0.0 0.0 0.0 0.0 0.0 133947.15 40964.58666666666 0.0 76541.22857142857 178596.19999999998 0.0 0.0 0.0 0.0 0.0 0.0 535788.6 0.0 0.0 535788.6 0.0
1054 341.2660699303702 12.686082 102609.668 95970.75 0.0 0.0 134714.56 282363.03 134714.56 282363.03 95970.75 0.0 0.0 134714.56 282363.03 205219.336 0.0 171016.11333333334 0.0 0.0 102609.668 102609.668 191941.5 0.0 0.0 269429.12 564726.06 0.0 0.0 0.0 0.0 0.0 191941.5 0.0 0.0 269429.12 564726.06 0.0 0.0 0.0 191941.5 0.0 0.0 269429.12 564726.06 0.0 0.0 0.0 191941.5 0.0 0.0 269429.12 564726.06 0.0 0.0 0.0 0.0 0.0 189166.89 89809.70666666667 0.0 108095.36571428573 252222.52000000002 0.0 0.0 0.0 0.0 95970.75 0.0 564726.06 191941.5 0.0 564726.06 0.0
1055 441.3724830213271 12.688643 43312.8 0.0 0.0 0.0 216564.0 0.0 216564.0 0.0 0.0 0.0 0.0 216564.0 0.0 0.0 86625.6 72188.0 0.0 0.0 43312.8 43312.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433128.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216564.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216564.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433128.0 0.0 0.0 144376.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1056 380.33685926327104 12.690301 17896.04 0.0 0.0 0.0 0.0 89480.2 0.0 89480.2 0.0 0.0 0.0 0.0 89480.2 35792.08 0.0 29826.733333333334 0.0 0.0 17896.04 17896.04 0.0 0.0 0.0 0.0 178960.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178960.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178960.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178960.4 0.0 0.0 0.0 0.0 0.0 44740.1 0.0 0.0 25565.77142857143 59653.46666666667 0.0 0.0 0.0 0.0 0.0 0.0 178960.4 0.0 0.0 178960.4 0.0
1057 385.2924073861258 12.692667 82650.73300000001 0.0 0.0 0.0 97953.515 315300.15 97953.515 315300.15 0.0 0.0 0.0 97953.515 315300.15 165301.46600000001 0.0 137751.22166666668 0.0 0.0 82650.73300000001 82650.73300000001 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 157650.075 65302.34333333333 0.0 90085.75714285715 210200.1 0.0 0.0 0.0 0.0 0.0 0.0 630600.3 0.0 0.0 630600.3 0.0
1058 172.11538081022837 12.717609 66481.33 0.0 332406.65 0.0 0.0 0.0 0.0 0.0 0.0 332406.65 0.0 0.0 0.0 66542.72 66419.94 0.0 332406.65 0.0 66481.33 66481.33 0.0 332713.6 0.0 0.0 0.0 0.0 332099.7 0.0 0.0 0.0 0.0 332406.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 332406.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 332713.6 0.0 0.0 0.0 0.0 332099.7 0.0 0.0 0.0 0.0 110904.53333333333 110699.90000000001 47442.81428571429 0.0 0.0 332099.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1059 703.2117762559074 12.717609 15138.849599999998 0.0 75694.24799999999 0.0 0.0 0.0 0.0 0.0 0.0 75694.24799999999 0.0 0.0 0.0 14798.0532 15479.645999999999 0.0 75694.24799999999 0.0 15138.849599999998 15138.849599999998 0.0 73990.266 0.0 0.0 0.0 0.0 77398.23 0.0 0.0 0.0 0.0 75694.24799999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75694.24799999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73990.266 0.0 0.0 0.0 0.0 77398.23 0.0 0.0 0.0 0.0 24663.422000000002 25799.41 11056.89 0.0 0.0 77398.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1060 297.2398219743612 12.759609 43336.96 0.0 68801.08 0.0 70259.805 77623.915 70259.805 77623.915 0.0 68801.08 0.0 70259.805 77623.915 86673.92 0.0 49294.57333333333 68801.08 0.0 43336.96 43336.96 0.0 137602.16 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 0.0 0.0 68801.08 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 68801.08 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 137602.16 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 0.0 38811.9575 92707.25666666667 0.0 22178.261428571426 51749.276666666665 0.0 0.0 0.0 0.0 0.0 0.0 155247.83 0.0 0.0 155247.83 0.0
1061 501.0857935623885 12.772147 12915.411 64577.055 0.0 0.0 0.0 0.0 0.0 0.0 64577.055 0.0 0.0 0.0 0.0 25830.822 0.0 21525.685 0.0 0.0 12915.411 12915.411 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32288.5275 0.0 0.0 18450.587142857144 43051.37 0.0 0.0 0.0 0.0 64577.055 0.0 0.0 129154.11 0.0 0.0 0.0
1062 480.156773766476 12.775638 94306.49500000001 189337.2 0.0 0.0 158603.765 123591.51 158603.765 123591.51 189337.2 0.0 0.0 158603.765 123591.51 75734.88 112878.11000000002 157177.49166666667 0.0 0.0 94306.49500000001 94306.49500000001 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317207.53 247183.02 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 282195.275 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 282195.275 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317207.53 247183.02 94668.6 105735.84333333334 82394.34 89408.20285714287 126224.8 0.0 0.0 0.0 247183.02 189337.2 0.0 0.0 378674.4 0.0 0.0 0.0
1063 280.26333141371686 12.799044 130330.32999999999 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 132530.13999999998 128130.51999999999 0.0 651651.6499999999 0.0 130330.32999999999 130330.32999999999 0.0 662650.7 0.0 0.0 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 662650.7 0.0 0.0 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 220883.56666666665 213550.86666666667 91521.8 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1064 463.13029200534953 12.811396 139944.075 226849.015 0.0 0.0 315160.625 157710.735 315160.625 157710.735 226849.015 0.0 0.0 315160.625 157710.735 139714.306 140173.84399999998 233240.125 0.0 0.0 139944.075 139944.075 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 0.0 385447.75 315421.47 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 350434.61 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 350434.61 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 0.0 385447.75 315421.47 113424.5075 210107.08333333334 105140.48999999999 109874.21428571429 151232.67666666667 0.0 0.0 0.0 315421.47 226849.015 0.0 0.0 453698.03 0.0 0.0 0.0
1065 922.549620529742 12.828337 53819.725 0.0 0.0 269098.625 0.0 0.0 0.0 0.0 0.0 0.0 269098.625 0.0 0.0 107639.45 0.0 0.0 0.0 269098.625 53819.725 53819.725 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134549.3125 0.0 0.0 76885.32142857143 0.0 538197.25 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 538197.25 0.0 0.0
1066 439.3205086167808 12.8439 30285.346999999998 0.0 0.0 151426.735 0.0 0.0 0.0 0.0 0.0 0.0 151426.735 0.0 0.0 60570.693999999996 0.0 0.0 0.0 151426.735 30285.346999999998 30285.346999999998 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75713.3675 0.0 0.0 43264.78142857143 0.0 302853.47 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 302853.47 0.0 0.0
1067 479.3130535531309 12.8439 106551.23999999999 0.0 0.0 532756.2 0.0 0.0 0.0 0.0 0.0 0.0 532756.2 0.0 0.0 213102.47999999998 0.0 0.0 0.0 532756.2 106551.23999999999 106551.23999999999 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 266378.1 0.0 0.0 152216.05714285714 0.0 1065512.4 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 1065512.4 0.0 0.0
1068 480.3163589778747 12.8439 32507.415999999997 0.0 0.0 162537.08 0.0 0.0 0.0 0.0 0.0 0.0 162537.08 0.0 0.0 65014.831999999995 0.0 0.0 0.0 162537.08 32507.415999999997 32507.415999999997 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81268.54 0.0 0.0 46439.16571428571 0.0 325074.16 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 325074.16 0.0 0.0
1069 702.536188275019 12.85626 14699.819 0.0 0.0 0.0 73499.095 0.0 73499.095 0.0 0.0 0.0 0.0 73499.095 0.0 29399.638 0.0 24499.698333333334 0.0 0.0 14699.819 14699.819 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48999.39666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1070 485.1121495301287 12.8758335 369083.046 658256.8 162407.8 216930.36 453564.995 354255.275 453564.995 354255.275 658256.8 162407.8 216930.36 453564.995 354255.275 523899.038 214267.054 488692.3566666667 162407.8 216930.36 369083.046 369083.046 1316513.6 324815.6 148035.5 667424.94 162705.55 0.0 0.0 285825.22 239705.05 545805.0 1316513.6 162407.8 148035.5 667424.94 162705.55 0.0 285825.22 392755.025 1316513.6 162407.8 148035.5 667424.94 162705.55 0.0 285825.22 392755.025 1316513.6 324815.6 148035.5 667424.94 162705.55 0.0 0.0 285825.22 239705.05 545805.0 406813.66250000003 410648.52999999997 277210.0733333333 351269.26714285713 493073.05000000005 148035.5 0.0 285825.22 545805.0 658256.8 148035.5 162705.55 1316513.6 148035.5 162705.55 0.0
1071 804.510801435391 12.875922 11399.7055 0.0 0.0 56998.5275 0.0 0.0 0.0 0.0 0.0 0.0 56998.5275 0.0 0.0 22799.411 0.0 0.0 0.0 56998.5275 11399.7055 11399.7055 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28499.26375 0.0 0.0 16285.29357142857 0.0 113997.055 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 113997.055 0.0 0.0
1072 425.3026745884199 12.891559 60261.825 0.0 0.0 301309.125 0.0 0.0 0.0 0.0 0.0 0.0 301309.125 0.0 0.0 120523.65 0.0 0.0 0.0 301309.125 60261.825 60261.825 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150654.5625 0.0 0.0 86088.32142857143 0.0 602618.25 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 602618.25 0.0 0.0
1073 658.5095413363753 12.90289 30184.3 0.0 0.0 0.0 150921.5 0.0 150921.5 0.0 0.0 0.0 0.0 150921.5 0.0 60368.6 0.0 50307.166666666664 0.0 0.0 30184.3 30184.3 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100614.33333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1074 917.593735201681 12.9196415 136352.649 0.0 0.0 681763.245 0.0 0.0 0.0 0.0 0.0 0.0 681763.245 0.0 0.0 249954.32 22750.978 0.0 0.0 681763.245 136352.649 136352.649 0.0 0.0 1249771.6 0.0 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 0.0 113754.89 0.0 0.0 312442.9 0.0 37918.29666666667 194789.49857142856 0.0 1249771.6 0.0 113754.89 0.0 0.0 1249771.6 0.0 0.0 1249771.6 0.0 0.0
1075 614.4833884762211 12.960344 112648.45300000001 51728.175 122674.47 96275.48 235475.85 57088.29 235475.85 57088.29 51728.175 122674.47 96275.48 235475.85 57088.29 161984.292 63312.614 114764.105 122674.47 96275.48 112648.45300000001 112648.45300000001 0.0 123543.09 101250.09 470951.7 114176.58 103456.35 121805.85 91300.87 0.0 0.0 0.0 122674.47 101250.09 470951.7 114176.58 103456.35 91300.87 0.0 0.0 122674.47 101250.09 470951.7 114176.58 103456.35 91300.87 0.0 0.0 123543.09 101250.09 470951.7 114176.58 103456.35 121805.85 91300.87 0.0 0.0 79720.755 198164.93000000002 71035.57333333333 75998.53428571428 72544.31 101250.09 121805.85 91300.87 0.0 51728.175 101250.09 114176.58 0.0 101250.09 114176.58 103456.35
1076 205.1108463193473 12.966361 8556.595 0.0 0.0 0.0 42782.975 0.0 42782.975 0.0 0.0 0.0 0.0 42782.975 0.0 17113.19 0.0 14260.991666666667 0.0 0.0 8556.595 8556.595 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28521.983333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1077 317.2061698098572 12.982198 20462.153 0.0 0.0 0.0 102310.765 0.0 102310.765 0.0 0.0 0.0 0.0 102310.765 0.0 40924.306 0.0 34103.58833333333 0.0 0.0 20462.153 20462.153 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68207.17666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1078 409.2145903057379 12.982198 66065.03 0.0 0.0 0.0 330325.15 0.0 330325.15 0.0 0.0 0.0 0.0 330325.15 0.0 132130.06 0.0 110108.38333333335 0.0 0.0 66065.03 66065.03 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220216.7666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1080 427.3028007830091 12.997743 44860.172 0.0 0.0 0.0 224300.86 0.0 224300.86 0.0 0.0 0.0 0.0 224300.86 0.0 89720.344 0.0 74766.95333333332 0.0 0.0 44860.172 44860.172 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149533.90666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1081 223.06362309139664 13.02962 11832.594500000001 0.0 0.0 0.0 59162.9725 0.0 59162.9725 0.0 0.0 0.0 0.0 59162.9725 0.0 23665.189000000002 0.0 19720.990833333333 0.0 0.0 11832.594500000001 11832.594500000001 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39441.98166666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1083 531.3866053613502 13.050352 13986.767000000002 0.0 0.0 0.0 0.0 69933.835 0.0 69933.835 0.0 0.0 0.0 0.0 69933.835 27973.534000000003 0.0 23311.278333333335 0.0 0.0 13986.767000000002 13986.767000000002 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 34966.9175 0.0 0.0 19981.095714285715 46622.55666666667 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 139867.67 0.0
1088 399.3081835756186 13.05068 48271.759999999995 0.0 0.0 241358.8 0.0 0.0 0.0 0.0 0.0 0.0 241358.8 0.0 0.0 96543.51999999999 0.0 0.0 0.0 241358.8 48271.759999999995 48271.759999999995 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120679.4 0.0 0.0 68959.65714285713 0.0 482717.6 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 482717.6 0.0 0.0
1086 443.3343935314626 13.05068 46268.144 0.0 0.0 231340.72 0.0 0.0 0.0 0.0 0.0 0.0 231340.72 0.0 0.0 92536.288 0.0 0.0 0.0 231340.72 46268.144 46268.144 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115670.36 0.0 0.0 66097.34857142858 0.0 462681.44 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 462681.44 0.0 0.0
1084 487.3604957780535 13.064563 77271.208 0.0 0.0 104961.79 115503.69 165890.56 115503.69 165890.56 0.0 0.0 104961.79 115503.69 165890.56 154542.416 0.0 93798.08333333333 0.0 104961.79 77271.208 77271.208 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 135426.175 77002.46 0.0 77386.3857142857 110593.70666666667 209923.58 0.0 0.0 0.0 0.0 209923.58 331781.12 0.0 209923.58 331781.12 0.0
1091 365.18834268976383 13.156504 41904.494 0.0 0.0 0.0 209522.47 0.0 209522.47 0.0 0.0 0.0 0.0 209522.47 0.0 83808.988 0.0 69840.82333333333 0.0 0.0 41904.494 41904.494 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139681.64666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1092 559.1310536019046 13.158628 10036.386999999999 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 20072.773999999998 0.0 50181.935 0.0 10036.386999999999 10036.386999999999 0.0 0.0 0.0 0.0 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 0.0 33454.62333333333 14337.695714285714 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1093 493.3290209806541 13.226002 16172.27 0.0 0.0 80861.35 0.0 0.0 0.0 0.0 0.0 0.0 80861.35 0.0 0.0 32344.54 0.0 0.0 0.0 80861.35 16172.27 16172.27 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40430.675 0.0 0.0 23103.242857142857 0.0 161722.7 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 161722.7 0.0 0.0
1094 281.051060921516 13.234834 28434.18 0.0 0.0 0.0 142170.9 0.0 142170.9 0.0 0.0 0.0 0.0 142170.9 0.0 56868.36 0.0 47390.299999999996 0.0 0.0 28434.18 28434.18 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94780.59999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1095 297.0823715453125 13.234834 17001.886 0.0 0.0 0.0 85009.43 0.0 85009.43 0.0 0.0 0.0 0.0 85009.43 0.0 34003.772 0.0 28336.476666666666 0.0 0.0 17001.886 17001.886 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56672.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1096 299.06165755972614 13.234834 56180.89 0.0 0.0 0.0 280904.45 0.0 280904.45 0.0 0.0 0.0 0.0 280904.45 0.0 112361.78 0.0 93634.81666666667 0.0 0.0 56180.89 56180.89 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187269.63333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1097 313.11370867429684 13.234834 15921.564000000002 0.0 0.0 0.0 79607.82 0.0 79607.82 0.0 0.0 0.0 0.0 79607.82 0.0 31843.128000000004 0.0 26535.940000000002 0.0 0.0 15921.564000000002 15921.564000000002 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53071.880000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1098 315.09299538231033 13.234834 20232.328 0.0 0.0 0.0 101161.64 0.0 101161.64 0.0 0.0 0.0 0.0 101161.64 0.0 40464.656 0.0 33720.54666666667 0.0 0.0 20232.328 20232.328 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67441.09333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1099 322.07761831906294 13.234834 34153.812 0.0 0.0 0.0 170769.06 0.0 170769.06 0.0 0.0 0.0 0.0 170769.06 0.0 68307.624 0.0 56923.02 0.0 0.0 34153.812 34153.812 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113846.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1100 336.1297016906487 13.234834 13242.784 0.0 0.0 0.0 66213.92 0.0 66213.92 0.0 0.0 0.0 0.0 66213.92 0.0 26485.568 0.0 22071.306666666667 0.0 0.0 13242.784 13242.784 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44142.613333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1101 744.489419908027 13.272666 143539.35 0.0 0.0 717696.75 0.0 0.0 0.0 0.0 0.0 0.0 717696.75 0.0 0.0 287078.7 0.0 0.0 0.0 717696.75 143539.35 143539.35 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 358848.375 0.0 0.0 205056.2142857143 0.0 1435393.5 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 1435393.5 0.0 0.0
1102 749.4450670660644 13.272666 44725.053 0.0 0.0 223625.265 0.0 0.0 0.0 0.0 0.0 0.0 223625.265 0.0 0.0 89450.106 0.0 0.0 0.0 223625.265 44725.053 44725.053 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111812.6325 0.0 0.0 63892.93285714286 0.0 447250.53 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 447250.53 0.0 0.0
1103 904.5612370435653 13.298088 99119.51100000001 0.0 0.0 113769.025 0.0 381828.53 0.0 381828.53 0.0 0.0 113769.025 0.0 381828.53 45507.61 152731.412 127276.17666666668 0.0 113769.025 99119.51100000001 99119.51100000001 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 0.0 0.0 763657.06 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 381828.53 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 381828.53 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 0.0 0.0 763657.06 56884.5125 0.0 254552.35333333336 141599.30142857143 0.0 227538.05 0.0 0.0 763657.06 0.0 227538.05 0.0 0.0 227538.05 0.0 0.0
1104 256.26346220861586 13.363818 58530.708999999995 0.0 196523.735 0.0 96129.81 0.0 96129.81 0.0 0.0 196523.735 0.0 96129.81 0.0 78629.812 38431.606 32043.27 196523.735 0.0 58530.708999999995 58530.708999999995 0.0 200889.44 0.0 192259.62 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 196523.735 0.0 192259.62 0.0 0.0 0.0 0.0 0.0 196523.735 0.0 192259.62 0.0 0.0 0.0 0.0 0.0 200889.44 0.0 192259.62 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 131049.68666666666 64052.676666666666 27451.147142857142 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1105 937.5492568734702 13.36801 33346.520000000004 0.0 0.0 166732.6 0.0 0.0 0.0 0.0 0.0 0.0 166732.6 0.0 0.0 66693.04000000001 0.0 0.0 0.0 166732.6 33346.520000000004 33346.520000000004 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83366.3 0.0 0.0 47637.885714285716 0.0 333465.2 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 333465.2 0.0 0.0
1106 311.25572010736363 13.411243 15439.816 0.0 0.0 0.0 77199.08 0.0 77199.08 0.0 0.0 0.0 0.0 77199.08 0.0 30879.632 0.0 25733.02666666667 0.0 0.0 15439.816 15439.816 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51466.05333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1107 672.5257290696538 13.507614 12808.2914 0.0 0.0 0.0 64041.457 0.0 64041.457 0.0 0.0 0.0 0.0 64041.457 0.0 25616.5828 0.0 21347.152333333335 0.0 0.0 12808.2914 12808.2914 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42694.30466666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1108 628.4993715997332 13.539889 28041.194 0.0 0.0 0.0 140205.97 0.0 140205.97 0.0 0.0 0.0 0.0 140205.97 0.0 56082.388 0.0 46735.323333333334 0.0 0.0 28041.194 28041.194 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93470.64666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1109 548.3002993939185 13.5934 37734.672 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 39460.932 36008.412 0.0 188673.36 0.0 37734.672 37734.672 0.0 197304.66 0.0 0.0 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197304.66 0.0 0.0 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 65768.22 60014.02 25720.294285714284 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1110 282.27901526481094 13.601709 76884.06899999999 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 75773.23199999999 77994.906 0.0 384420.345 0.0 76884.06899999999 76884.06899999999 0.0 378866.16 0.0 0.0 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 0.0 378866.16 0.0 0.0 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 126288.71999999999 129991.51000000001 55710.647142857146 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1111 391.2039461393648 13.602998 22883.510000000002 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 45767.020000000004 0.0 0.0 114417.55 0.0 22883.510000000002 22883.510000000002 0.0 228835.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228835.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76278.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1112 413.32385758774353 13.608627 29665.362 0.0 0.0 148326.81 0.0 0.0 0.0 0.0 0.0 0.0 148326.81 0.0 0.0 59330.724 0.0 0.0 0.0 148326.81 29665.362 29665.362 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74163.405 0.0 0.0 42379.08857142857 0.0 296653.62 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 296653.62 0.0 0.0
1113 457.3500087446892 13.608627 25765.477 0.0 0.0 128827.385 0.0 0.0 0.0 0.0 0.0 0.0 128827.385 0.0 0.0 51530.954 0.0 0.0 0.0 128827.385 25765.477 25765.477 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64413.6925 0.0 0.0 36807.82428571428 0.0 257654.77 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 257654.77 0.0 0.0
1114 425.28731602110486 13.62318 21776.927 0.0 0.0 0.0 0.0 108884.635 0.0 108884.635 0.0 0.0 0.0 0.0 108884.635 43553.854 0.0 36294.878333333334 0.0 0.0 21776.927 21776.927 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 54442.3175 0.0 0.0 31109.895714285714 72589.75666666667 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 217769.27 0.0
1115 369.2975435474211 13.640278 22570.057999999997 0.0 0.0 112850.29 0.0 0.0 0.0 0.0 0.0 0.0 112850.29 0.0 0.0 45140.115999999995 0.0 0.0 0.0 112850.29 22570.057999999997 22570.057999999997 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56425.145 0.0 0.0 32242.94 0.0 225700.58 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 225700.58 0.0 0.0
1116 904.560141336326 13.6415825 52455.110499999995 0.0 0.0 262275.5525 0.0 0.0 0.0 0.0 0.0 0.0 262275.5525 0.0 0.0 20361.961 84548.26 0.0 0.0 262275.5525 52455.110499999995 52455.110499999995 0.0 0.0 101809.805 0.0 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 0.0 422741.3 0.0 0.0 25452.45125 0.0 140913.76666666666 74935.87214285714 0.0 101809.805 0.0 422741.3 0.0 0.0 101809.805 0.0 0.0 101809.805 0.0 0.0
1117 584.4728506289035 13.658886 30157.032999999996 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 29706.856 30607.21 0.0 150785.16499999998 0.0 30157.032999999996 30157.032999999996 0.0 148534.28 0.0 0.0 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148534.28 0.0 0.0 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 49511.426666666666 51012.01666666666 21862.292857142857 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1118 860.573829024698 13.671899 18863.435999999998 0.0 0.0 94317.18 0.0 0.0 0.0 0.0 0.0 0.0 94317.18 0.0 0.0 37726.871999999996 0.0 0.0 0.0 94317.18 18863.435999999998 18863.435999999998 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47158.59 0.0 0.0 26947.765714285713 0.0 188634.36 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 188634.36 0.0 0.0
1119 452.3942424208471 13.682021 15276.957999999999 76384.79 0.0 0.0 0.0 0.0 0.0 0.0 76384.79 0.0 0.0 0.0 0.0 0.0 30553.915999999997 25461.596666666665 0.0 0.0 15276.957999999999 15276.957999999999 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 38192.395 0.0 0.0 21824.225714285712 50923.19333333333 0.0 0.0 0.0 0.0 76384.79 0.0 0.0 0.0 0.0 0.0 152769.58
1120 379.2041331300359 13.68308 98848.294 0.0 0.0 0.0 494241.47 0.0 494241.47 0.0 0.0 0.0 0.0 494241.47 0.0 197696.588 0.0 164747.15666666665 0.0 0.0 98848.294 98848.294 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329494.3133333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1121 335.16670771478306 13.6990185 12359.1234 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 24718.2468 0.0 61795.617 0.0 12359.1234 12359.1234 0.0 0.0 0.0 0.0 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 0.0 41197.078 17655.890571428572 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1122 345.2375248305175 13.6992655 12903.596000000001 0.0 0.0 0.0 64517.98 0.0 64517.98 0.0 0.0 0.0 0.0 64517.98 0.0 25807.192000000003 0.0 21505.993333333336 0.0 0.0 12903.596000000001 12903.596000000001 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43011.98666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1123 383.1997202197144 13.6992655 12392.604 0.0 0.0 0.0 61963.02 0.0 61963.02 0.0 0.0 0.0 0.0 61963.02 0.0 24785.208 0.0 20654.34 0.0 0.0 12392.604 12392.604 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41308.68 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1124 397.21429265827845 13.6992655 16230.616 0.0 0.0 0.0 81153.08 0.0 81153.08 0.0 0.0 0.0 0.0 81153.08 0.0 32461.232 0.0 27051.02666666667 0.0 0.0 16230.616 16230.616 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54102.05333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1125 437.24603213451786 13.6992655 32253.662 0.0 0.0 0.0 161268.31 0.0 161268.31 0.0 0.0 0.0 0.0 161268.31 0.0 64507.324 0.0 53756.10333333333 0.0 0.0 32253.662 32253.662 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107512.20666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1126 540.4466823875806 13.700616 52950.570999999996 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 51859.509999999995 54041.632 0.0 264752.855 0.0 52950.570999999996 52950.570999999996 0.0 259297.55 0.0 0.0 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259297.55 0.0 0.0 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 86432.51666666666 90069.38666666666 38601.16571428571 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1127 496.4205501571071 13.705162 83042.513 76188.625 339023.94 0.0 0.0 0.0 0.0 0.0 76188.625 339023.94 0.0 0.0 0.0 67871.076 98213.95 25396.208333333332 339023.94 0.0 83042.513 83042.513 0.0 339355.38 0.0 0.0 0.0 152377.25 338692.5 0.0 0.0 0.0 0.0 339023.94 0.0 0.0 0.0 152377.25 0.0 0.0 0.0 339023.94 0.0 0.0 0.0 152377.25 0.0 0.0 0.0 339355.38 0.0 0.0 0.0 152377.25 338692.5 0.0 0.0 0.0 38094.3125 113118.46 112897.5 70152.82142857143 50792.416666666664 0.0 338692.5 0.0 0.0 76188.625 0.0 0.0 0.0 0.0 0.0 152377.25
1128 559.1306137778143 13.717749 35730.770000000004 178653.85 0.0 0.0 0.0 0.0 0.0 0.0 178653.85 0.0 0.0 0.0 0.0 71461.54000000001 0.0 59551.28333333333 0.0 0.0 35730.770000000004 35730.770000000004 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89326.925 0.0 0.0 51043.95714285714 119102.56666666667 0.0 0.0 0.0 0.0 178653.85 0.0 0.0 357307.7 0.0 0.0 0.0
1129 554.1756535536065 13.730773 114481.254 227316.33 0.0 0.0 233143.18 111946.76 233143.18 111946.76 227316.33 0.0 0.0 233143.18 111946.76 137510.688 91451.81999999999 190802.09 0.0 0.0 114481.254 114481.254 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 0.0 233365.58 223893.52 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 228629.55 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 228629.55 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 0.0 233365.58 223893.52 113658.165 155428.78666666665 74631.17333333332 96932.31142857143 151544.22 0.0 0.0 0.0 223893.52 227316.33 0.0 0.0 454632.66 0.0 0.0 0.0
1130 408.3682167577156 13.731287 32324.284000000003 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 64648.56800000001 0.0 161621.42 0.0 32324.284000000003 32324.284000000003 0.0 0.0 0.0 0.0 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 0.0 107747.61333333334 46177.548571428575 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1131 948.5888698841997 13.833068 138904.547 0.0 0.0 522569.22 0.0 171953.515 0.0 171953.515 0.0 0.0 522569.22 0.0 171953.515 209027.688 68781.406 57317.83833333334 0.0 522569.22 138904.547 138904.547 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 0.0 0.0 343907.03 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 171953.515 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 171953.515 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 0.0 0.0 343907.03 261284.61 0.0 114635.67666666668 198435.06714285715 0.0 1045138.44 0.0 0.0 343907.03 0.0 1045138.44 0.0 0.0 1045138.44 0.0 0.0
1132 361.2340171172037 13.847191 36998.412 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 37782.734000000004 36214.090000000004 0.0 184992.06 0.0 36998.412 36998.412 0.0 188913.67 0.0 0.0 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188913.67 0.0 0.0 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 62971.223333333335 60356.81666666667 25867.207142857143 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1133 383.2160153558706 13.847191 29027.317 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 30026.21 28028.424 0.0 145136.585 0.0 29027.317 29027.317 0.0 150131.05 0.0 0.0 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150131.05 0.0 0.0 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 50043.68333333333 46714.04 20020.302857142855 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1134 336.3119909379817 13.85574 38635.436 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 40332.612 36938.259999999995 0.0 193177.18 0.0 38635.436 38635.436 0.0 201663.06 0.0 0.0 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201663.06 0.0 0.0 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 67221.02 61563.76666666666 26384.471428571425 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1135 953.5444243593076 13.880342 40919.853 0.0 0.0 204599.265 0.0 0.0 0.0 0.0 0.0 0.0 204599.265 0.0 0.0 81839.706 0.0 0.0 0.0 204599.265 40919.853 40919.853 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102299.6325 0.0 0.0 58456.93285714286 0.0 409198.53 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 409198.53 0.0 0.0
1136 282.2216815467704 13.920722 64258.406 0.0 0.0 0.0 321292.03 0.0 321292.03 0.0 0.0 0.0 0.0 321292.03 0.0 128516.812 0.0 107097.34333333334 0.0 0.0 64258.406 64258.406 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214194.68666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1137 325.2713679903288 13.9533415 13030.9516 0.0 0.0 0.0 65154.758 0.0 65154.758 0.0 0.0 0.0 0.0 65154.758 0.0 26061.9032 0.0 21718.252666666667 0.0 0.0 13030.9516 13030.9516 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43436.505333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1138 879.5439766932674 13.994552 29178.840000000004 0.0 0.0 0.0 0.0 145894.2 0.0 145894.2 0.0 0.0 0.0 0.0 145894.2 0.0 58357.68000000001 48631.4 0.0 0.0 29178.840000000004 29178.840000000004 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145894.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145894.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 97262.8 41684.05714285715 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1139 273.1387107146153 14.007053 15351.780999999999 0.0 0.0 76758.905 0.0 0.0 0.0 0.0 0.0 0.0 76758.905 0.0 0.0 30703.561999999998 0.0 0.0 0.0 76758.905 15351.780999999999 15351.780999999999 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38379.4525 0.0 0.0 21931.115714285716 0.0 153517.81 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 153517.81 0.0 0.0
1140 287.1543418074401 14.007053 8090.647 0.0 0.0 40453.235 0.0 0.0 0.0 0.0 0.0 0.0 40453.235 0.0 0.0 16181.294 0.0 0.0 0.0 40453.235 8090.647 8090.647 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20226.6175 0.0 0.0 11558.067142857142 0.0 80906.47 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 80906.47 0.0 0.0
1141 455.3342560349541 14.081077 87270.55600000001 0.0 0.0 0.0 436352.78 0.0 436352.78 0.0 0.0 0.0 0.0 436352.78 0.0 174541.11200000002 0.0 145450.92666666667 0.0 0.0 87270.55600000001 87270.55600000001 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290901.85333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1142 456.33765464325023 14.081077 21205.672 0.0 0.0 0.0 106028.36 0.0 106028.36 0.0 0.0 0.0 0.0 106028.36 0.0 42411.344 0.0 35342.78666666667 0.0 0.0 21205.672 21205.672 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70685.57333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1143 393.2198072191909 14.109105 444627.6109999999 0.0 377492.625 72810.03 1772835.4 0.0 1772835.4 0.0 0.0 377492.625 72810.03 1772835.4 0.0 889255.2219999998 0.0 590945.1333333333 377492.625 72810.03 444627.6109999999 444627.6109999999 0.0 754985.25 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377492.625 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 377492.625 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 754985.25 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 0.0 36405.015 1433552.0166666666 0.0 20802.865714285716 0.0 145620.06 0.0 0.0 0.0 0.0 145620.06 0.0 0.0 145620.06 0.0 0.0
1144 953.543352798136 14.11502 10222.332 0.0 0.0 51111.66 0.0 0.0 0.0 0.0 0.0 0.0 51111.66 0.0 0.0 0.0 20444.664 0.0 0.0 51111.66 10222.332 10222.332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 34074.44 14603.33142857143 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1145 948.5877306415748 14.147208 40733.884000000005 0.0 0.0 203669.42 0.0 0.0 0.0 0.0 0.0 0.0 203669.42 0.0 0.0 0.0 81467.76800000001 0.0 0.0 203669.42 40733.884000000005 40733.884000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 135779.61333333334 58191.26285714286 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1146 959.6197472934292 14.160692 18058.598 0.0 0.0 0.0 90292.99 0.0 90292.99 0.0 0.0 0.0 0.0 90292.99 0.0 36117.196 0.0 30097.663333333334 0.0 0.0 18058.598 18058.598 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60195.32666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1147 932.593986372488 14.165238 8729.7336 0.0 0.0 43648.668 0.0 0.0 0.0 0.0 0.0 0.0 43648.668 0.0 0.0 17459.4672 0.0 0.0 0.0 43648.668 8729.7336 8729.7336 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21824.334 0.0 0.0 12471.047999999999 0.0 87297.336 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 87297.336 0.0 0.0
1148 937.5498078703456 14.165238 11395.4164 0.0 0.0 56977.082 0.0 0.0 0.0 0.0 0.0 0.0 56977.082 0.0 0.0 22790.8328 0.0 0.0 0.0 56977.082 11395.4164 11395.4164 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28488.541 0.0 0.0 16279.166285714286 0.0 113954.164 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 113954.164 0.0 0.0
1149 352.1930743898904 14.175975 15241.851999999999 0.0 0.0 0.0 76209.26 0.0 76209.26 0.0 0.0 0.0 0.0 76209.26 0.0 30483.703999999998 0.0 25403.086666666666 0.0 0.0 15241.851999999999 15241.851999999999 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50806.17333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1150 391.2245407795747 14.175975 13167.976999999999 0.0 0.0 0.0 65839.885 0.0 65839.885 0.0 0.0 0.0 0.0 65839.885 0.0 26335.953999999998 0.0 21946.62833333333 0.0 0.0 13167.976999999999 13167.976999999999 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43893.25666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1151 702.2132936590331 14.176151 23980.65 0.0 46549.35 0.0 73353.9 0.0 73353.9 0.0 0.0 46549.35 0.0 73353.9 0.0 47961.3 0.0 24451.3 46549.35 0.0 23980.65 23980.65 0.0 93098.7 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46549.35 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 46549.35 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 93098.7 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79935.5 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
1152 259.12283429159413 14.19206 16523.731 0.0 0.0 0.0 82618.655 0.0 82618.655 0.0 0.0 0.0 0.0 82618.655 0.0 33047.462 0.0 27539.551666666666 0.0 0.0 16523.731 16523.731 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55079.10333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1183 758.5053106575397 14.747275 40154.496999999996 0.0 0.0 200772.485 0.0 0.0 0.0 0.0 0.0 0.0 200772.485 0.0 0.0 80308.99399999999 0.0 0.0 0.0 200772.485 40154.496999999996 40154.496999999996 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100386.2425 0.0 0.0 57363.56714285714 0.0 401544.97 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 401544.97 0.0 0.0
1184 763.4608706362833 14.747275 22846.878 0.0 0.0 114234.39 0.0 0.0 0.0 0.0 0.0 0.0 114234.39 0.0 0.0 45693.756 0.0 0.0 0.0 114234.39 22846.878 22846.878 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57117.195 0.0 0.0 32638.397142857142 0.0 228468.78 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 228468.78 0.0 0.0
1185 568.4780150208502 14.758137 32607.833000000002 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 31290.390000000003 33925.276 0.0 163039.165 0.0 32607.833000000002 32607.833000000002 0.0 156451.95 0.0 0.0 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156451.95 0.0 0.0 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 52150.65 56542.12666666667 24232.34 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1186 273.13854381161923 14.7627735 10989.2266 0.0 0.0 54946.133 0.0 0.0 0.0 0.0 0.0 0.0 54946.133 0.0 0.0 21978.4532 0.0 0.0 0.0 54946.133 10989.2266 10989.2266 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27473.0665 0.0 0.0 15698.895142857144 0.0 109892.266 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 109892.266 0.0 0.0
1187 418.3679493237195 14.766555 15655.304999999998 0.0 0.0 0.0 78276.525 0.0 78276.525 0.0 0.0 0.0 0.0 78276.525 0.0 31310.609999999997 0.0 26092.175 0.0 0.0 15655.304999999998 15655.304999999998 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52184.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1188 524.4518000082517 14.787615 15974.557999999999 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 31949.115999999998 0.0 79872.79 0.0 15974.557999999999 15974.557999999999 0.0 0.0 0.0 0.0 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 0.0 53248.526666666665 22820.79714285714 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1189 874.5891355443572 14.792525 130822.84 0.0 0.0 654114.2 0.0 0.0 0.0 0.0 0.0 0.0 654114.2 0.0 0.0 261645.68 0.0 0.0 0.0 654114.2 130822.84 130822.84 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 327057.1 0.0 0.0 186889.7714285714 0.0 1308228.4 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 1308228.4 0.0 0.0
1190 480.4256002659882 14.799221 26820.347999999998 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 25615.34 28025.356 0.0 134101.74 0.0 26820.347999999998 26820.347999999998 0.0 128076.7 0.0 0.0 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128076.7 0.0 0.0 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 42692.23333333333 46708.926666666666 20018.11142857143 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1191 669.4697054990995 14.815607 15174.588 0.0 0.0 0.0 75872.94 0.0 75872.94 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 30349.176 25290.98 0.0 0.0 15174.588 15174.588 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151745.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151745.88 0.0 0.0 50581.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1193 803.5427057508734 14.829321 60097.990000000005 0.0 0.0 0.0 0.0 300489.95 0.0 300489.95 0.0 0.0 0.0 0.0 300489.95 120195.98000000001 0.0 100163.31666666667 0.0 0.0 60097.990000000005 60097.990000000005 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 150244.975 0.0 0.0 85854.27142857143 200326.63333333333 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 600979.9 0.0
1198 393.2974271311349 14.837382 1830550.35 0.0 0.0 632378.3 7961358.5 559014.95 7961358.5 559014.95 0.0 0.0 632378.3 7961358.5 559014.95 3661100.7 0.0 2840124.483333333 0.0 632378.3 1830550.35 1830550.35 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 595696.625 5307572.333333333 0.0 340398.0714285714 372676.6333333333 1264756.6 0.0 0.0 0.0 0.0 1264756.6 1118029.9 0.0 1264756.6 1118029.9 0.0
1194 423.32556572749706 14.839007 39188.615000000005 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 39105.696 39271.534 0.0 195943.075 0.0 39188.615000000005 39188.615000000005 0.0 195528.48 0.0 0.0 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195528.48 0.0 0.0 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 65176.16 65452.55666666667 28051.095714285715 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1195 413.265989143201 14.841261 490367.4535 231022.1975 536203.77 0.0 860694.55 823916.75 860694.55 823916.75 231022.1975 536203.77 0.0 860694.55 823916.75 814856.6799999999 165878.227 638544.4991666666 536203.77 0.0 490367.4535 490367.4535 361386.7 599577.7 0.0 1465485.5 1647833.5 100657.695 472829.84 0.0 255903.6 0.0 361386.7 536203.77 0.0 1465485.5 1647833.5 100657.695 0.0 127951.8 361386.7 536203.77 0.0 1465485.5 1647833.5 100657.695 0.0 127951.8 361386.7 599577.7 0.0 1465485.5 1647833.5 100657.695 472829.84 0.0 255903.6 0.0 527469.47375 773655.6 157609.94666666668 368958.2478571428 703292.6316666667 0.0 472829.84 0.0 0.0 231022.1975 0.0 1647833.5 361386.7 0.0 1647833.5 100657.695
1197 392.287535385912 14.85189 138941.78199999998 0.0 0.0 0.0 449327.6 245381.31 449327.6 245381.31 0.0 0.0 0.0 449327.6 245381.31 277883.56399999995 0.0 231569.63666666663 0.0 0.0 138941.78199999998 138941.78199999998 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 122690.655 299551.73333333334 0.0 70108.94571428571 163587.54 0.0 0.0 0.0 0.0 0.0 0.0 490762.62 0.0 0.0 490762.62 0.0
1200 259.19027684712825 14.859855 55294.52 0.0 0.0 0.0 276472.6 0.0 276472.6 0.0 0.0 0.0 0.0 276472.6 0.0 110589.04 0.0 92157.53333333333 0.0 0.0 55294.52 55294.52 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184315.06666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1201 409.271349487187 14.859855 14475.103 0.0 0.0 0.0 72375.515 0.0 72375.515 0.0 0.0 0.0 0.0 72375.515 0.0 28950.206 0.0 24125.171666666665 0.0 0.0 14475.103 14475.103 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48250.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1202 783.5747481419788 14.864715 238796.19000000003 0.0 111462.85 0.0 806129.3 276388.8 806129.3 276388.8 0.0 111462.85 0.0 806129.3 276388.8 477592.38000000006 0.0 360839.3666666667 111462.85 0.0 238796.19000000003 238796.19000000003 0.0 222925.7 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 0.0 0.0 111462.85 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 111462.85 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 222925.7 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 0.0 138194.4 611728.1 0.0 78968.22857142857 184259.19999999998 0.0 0.0 0.0 0.0 0.0 0.0 552777.6 0.0 0.0 552777.6 0.0
1203 394.3007522412792 14.866905 69717.662 0.0 230769.49 0.0 0.0 117818.82 0.0 117818.82 0.0 230769.49 0.0 0.0 117818.82 98555.924 40879.4 39272.94 230769.49 0.0 69717.662 69717.662 0.0 257141.98 0.0 0.0 235637.64 0.0 204397.0 0.0 0.0 0.0 0.0 230769.49 0.0 0.0 235637.64 0.0 0.0 0.0 0.0 230769.49 0.0 0.0 235637.64 0.0 0.0 0.0 0.0 257141.98 0.0 0.0 235637.64 0.0 204397.0 0.0 0.0 0.0 58909.41 85713.99333333333 68132.33333333333 62862.09142857143 78545.88 0.0 204397.0 0.0 0.0 0.0 0.0 235637.64 0.0 0.0 235637.64 0.0
1204 763.6060438165758 14.867592 596585.799 0.0 85963.445 144611.55 2752354.0 0.0 2752354.0 0.0 0.0 85963.445 144611.55 2752354.0 0.0 1193171.598 0.0 917451.3333333334 85963.445 144611.55 596585.799 596585.799 0.0 171926.89 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85963.445 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 85963.445 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 171926.89 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 0.0 72305.775 1892211.63 0.0 41317.58571428571 0.0 289223.1 0.0 0.0 0.0 0.0 289223.1 0.0 0.0 289223.1 0.0 0.0
1196 391.2840819834868 14.8687935 947159.47 0.0 2351369.8 0.0 1395957.1 988470.45 1395957.1 988470.45 0.0 2351369.8 0.0 1395957.1 988470.45 1427685.7799999998 466633.16 794809.1833333332 2351369.8 0.0 947159.47 947159.47 0.0 2369573.8 0.0 2791914.2 1976940.9 0.0 2333165.8 0.0 0.0 0.0 0.0 2351369.8 0.0 2791914.2 1976940.9 0.0 0.0 0.0 0.0 2351369.8 0.0 2791914.2 1976940.9 0.0 0.0 0.0 0.0 2369573.8 0.0 2791914.2 1976940.9 0.0 2333165.8 0.0 0.0 0.0 494235.225 1720496.0 777721.9333333332 615729.5285714285 658980.2999999999 0.0 2333165.8 0.0 0.0 0.0 0.0 1976940.9 0.0 0.0 1976940.9 0.0
1205 893.5592631663459 14.870416 1181581.53 0.0 0.0 0.0 0.0 5907907.65 0.0 5907907.65 0.0 0.0 0.0 0.0 5907907.65 1592384.7 770778.36 1969302.55 0.0 0.0 1181581.53 1181581.53 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 0.0 0.0 3853891.8 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 1926945.9 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 1926945.9 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 0.0 0.0 3853891.8 1990480.875 0.0 1284630.5999999999 1687973.6142857145 2653974.5 0.0 0.0 0.0 3853891.8 0.0 0.0 7961923.5 0.0 0.0 7961923.5 0.0
1206 888.6040009799901 14.878141 2480337.6 0.0 0.0 0.0 0.0 12401688.0 0.0 12401688.0 0.0 0.0 0.0 0.0 12401688.0 3057977.4 1902697.8 4133896.0 0.0 0.0 2480337.6 2480337.6 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 0.0 0.0 9513489.0 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 4756744.5 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 4756744.5 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 0.0 0.0 9513489.0 3822471.75 0.0 3171163.0 3543339.4285714286 5096629.0 0.0 0.0 0.0 9513489.0 0.0 0.0 15289887.0 0.0 0.0 15289887.0 0.0
1207 891.6131734070434 14.878141 84580.38100000001 0.0 0.0 0.0 0.0 422901.905 0.0 422901.905 0.0 0.0 0.0 0.0 422901.905 103187.85 65972.912 140967.30166666667 0.0 0.0 84580.38100000001 84580.38100000001 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 0.0 0.0 329864.56 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 164932.28 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 164932.28 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 0.0 0.0 329864.56 128984.8125 0.0 109954.85333333333 120829.11571428573 171979.75 0.0 0.0 0.0 329864.56 0.0 0.0 515939.25 0.0 0.0 515939.25 0.0
1211 388.3419675256885 14.882131 368965.931 0.0 750031.655 0.0 1094798.0 0.0 1094798.0 0.0 0.0 750031.655 0.0 1094798.0 0.0 593262.012 144669.85 364932.6666666667 750031.655 0.0 368965.931 368965.931 0.0 776714.06 0.0 2189596.0 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 750031.655 0.0 2189596.0 0.0 0.0 0.0 0.0 0.0 750031.655 0.0 2189596.0 0.0 0.0 0.0 0.0 0.0 776714.06 0.0 2189596.0 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 988770.02 241116.41666666666 103335.60714285714 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1199 371.31531297446986 14.882263 358467.48 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 716934.96 0.0 1792337.4 0.0 358467.48 358467.48 0.0 0.0 0.0 0.0 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 0.0 1194891.5999999999 512096.39999999997 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1208 892.6159894699703 14.8826 13621.503 0.0 0.0 68107.515 0.0 0.0 0.0 0.0 0.0 0.0 68107.515 0.0 0.0 27243.006 0.0 0.0 0.0 68107.515 13621.503 13621.503 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34053.7575 0.0 0.0 19459.29 0.0 136215.03 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 136215.03 0.0 0.0
1209 915.6238532681124 14.8826 33908.666 0.0 0.0 169543.33 0.0 0.0 0.0 0.0 0.0 0.0 169543.33 0.0 0.0 67817.332 0.0 0.0 0.0 169543.33 33908.666 33908.666 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84771.665 0.0 0.0 48440.951428571425 0.0 339086.66 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 339086.66 0.0 0.0
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1213 425.3047453341881 14.885837 24987.453999999998 0.0 124937.26999999999 0.0 0.0 0.0 0.0 0.0 0.0 124937.26999999999 0.0 0.0 0.0 26834.46 23140.448 0.0 124937.26999999999 0.0 24987.453999999998 24987.453999999998 0.0 134172.3 0.0 0.0 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 124937.26999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124937.26999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134172.3 0.0 0.0 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 44724.1 38567.41333333334 16528.89142857143 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1214 914.6203146486122 14.889633 116945.01100000001 0.0 0.0 312589.45 0.0 272135.605 0.0 272135.605 0.0 0.0 312589.45 0.0 272135.605 157179.44199999998 76710.58 90711.86833333333 0.0 312589.45 116945.01100000001 116945.01100000001 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 0.0 0.0 383552.9 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 191776.45 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 191776.45 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 0.0 0.0 383552.9 196474.3025 0.0 127850.96666666667 167064.30142857143 53572.77 625178.9 0.0 0.0 383552.9 0.0 625178.9 160718.31 0.0 625178.9 160718.31 0.0
1215 446.3627310499277 14.890671 106689.2 0.0 0.0 0.0 533446.0 0.0 533446.0 0.0 0.0 0.0 0.0 533446.0 0.0 213378.4 0.0 177815.33333333334 0.0 0.0 106689.2 106689.2 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355630.6666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1216 439.3203422398847 14.893327 47024.009999999995 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 46165.903999999995 47882.115999999995 0.0 235120.05 0.0 47024.009999999995 47024.009999999995 0.0 230829.52 0.0 0.0 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230829.52 0.0 0.0 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 76943.17333333332 79803.52666666666 34201.51142857143 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1217 804.5337287692214 14.897178 26397.446999999996 0.0 0.0 0.0 0.0 131987.235 0.0 131987.235 0.0 0.0 0.0 0.0 131987.235 0.0 52794.89399999999 43995.744999999995 0.0 0.0 26397.446999999996 26397.446999999996 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131987.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131987.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 87991.48999999999 37710.638571428564 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1218 771.5053828290648 14.8977165 54294.119999999995 0.0 0.0 271470.6 0.0 0.0 0.0 0.0 0.0 0.0 271470.6 0.0 0.0 108588.23999999999 0.0 0.0 0.0 271470.6 54294.119999999995 54294.119999999995 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135735.3 0.0 0.0 77563.02857142857 0.0 542941.2 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 542941.2 0.0 0.0
1219 821.5412488477775 14.8977165 20940.411 0.0 0.0 104702.055 0.0 0.0 0.0 0.0 0.0 0.0 104702.055 0.0 0.0 41880.822 0.0 0.0 0.0 104702.055 20940.411 20940.411 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52351.0275 0.0 0.0 29914.872857142855 0.0 209404.11 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 209404.11 0.0 0.0
1220 918.6443668891236 14.8977165 23590.128 0.0 0.0 117950.64 0.0 0.0 0.0 0.0 0.0 0.0 117950.64 0.0 0.0 47180.256 0.0 0.0 0.0 117950.64 23590.128 23590.128 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 58975.32 0.0 0.0 33700.182857142856 0.0 235901.28 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 235901.28 0.0 0.0
1221 423.251560297926 14.906418 14716.039999999999 0.0 0.0 0.0 73580.2 0.0 73580.2 0.0 0.0 0.0 0.0 73580.2 0.0 29432.079999999998 0.0 24526.733333333334 0.0 0.0 14716.039999999999 14716.039999999999 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49053.46666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1222 916.6346706083766 14.916572 217693.127 0.0 0.0 1036680.95 0.0 51784.685 0.0 51784.685 0.0 0.0 1036680.95 0.0 51784.685 435386.254 0.0 17261.561666666665 0.0 1036680.95 217693.127 217693.127 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 544232.8175 0.0 0.0 310990.1814285714 34523.12333333333 2073361.9 0.0 0.0 0.0 0.0 2073361.9 103569.37 0.0 2073361.9 103569.37 0.0
1223 687.4098180503222 14.919598 55948.998 0.0 0.0 136275.8 0.0 143469.19 0.0 143469.19 0.0 0.0 136275.8 0.0 143469.19 54510.31999999999 57387.676 47823.06333333333 0.0 136275.8 55948.998 55948.998 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 0.0 0.0 286938.38 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 143469.19 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 143469.19 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 0.0 0.0 286938.38 68137.9 0.0 95646.12666666666 79927.14 0.0 272551.6 0.0 0.0 286938.38 0.0 272551.6 0.0 0.0 272551.6 0.0 0.0
1224 719.4361148405817 14.919598 137376.26499999998 0.0 0.0 353748.875 0.0 333132.45 0.0 333132.45 0.0 0.0 353748.875 0.0 333132.45 141499.55 133252.98 111044.15000000001 0.0 353748.875 137376.26499999998 137376.26499999998 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 0.0 0.0 666264.9 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 333132.45 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 333132.45 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 0.0 0.0 666264.9 176874.4375 0.0 222088.30000000002 196251.80714285714 0.0 707497.75 0.0 0.0 666264.9 0.0 707497.75 0.0 0.0 707497.75 0.0 0.0
1225 412.3785267898828 14.921293 22636.129999999997 0.0 0.0 0.0 113180.65 0.0 113180.65 0.0 0.0 0.0 0.0 113180.65 0.0 45272.259999999995 0.0 37726.88333333333 0.0 0.0 22636.129999999997 22636.129999999997 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75453.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1226 671.4852423568942 14.926745 60458.130000000005 0.0 0.0 0.0 302290.65 0.0 302290.65 0.0 0.0 0.0 0.0 302290.65 0.0 0.0 120916.26000000001 100763.55 0.0 0.0 60458.130000000005 60458.130000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 604581.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302290.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302290.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 604581.3 0.0 0.0 201527.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1227 673.5009367751188 14.926745 49412.45 0.0 0.0 0.0 247062.25 0.0 247062.25 0.0 0.0 0.0 0.0 247062.25 0.0 0.0 98824.9 82354.08333333333 0.0 0.0 49412.45 49412.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 494124.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 247062.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 247062.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 494124.5 0.0 0.0 164708.16666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1228 674.5044837539779 14.926745 19868.873 0.0 0.0 0.0 99344.365 0.0 99344.365 0.0 0.0 0.0 0.0 99344.365 0.0 0.0 39737.746 33114.78833333334 0.0 0.0 19868.873 19868.873 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198688.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99344.365 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99344.365 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198688.73 0.0 0.0 66229.57666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1229 643.4199801176974 14.926867 52713.47900000001 0.0 0.0 171464.81 0.0 92102.585 0.0 92102.585 0.0 0.0 171464.81 0.0 92102.585 68585.924 36841.034 30700.861666666668 0.0 171464.81 52713.47900000001 52713.47900000001 0.0 0.0 342929.62 0.0 0.0 0.0 0.0 0.0 0.0 184205.17 0.0 0.0 342929.62 0.0 0.0 0.0 0.0 92102.585 0.0 0.0 342929.62 0.0 0.0 0.0 0.0 92102.585 0.0 0.0 342929.62 0.0 0.0 0.0 0.0 0.0 0.0 184205.17 85732.405 0.0 61401.723333333335 75304.97 0.0 342929.62 0.0 0.0 184205.17 0.0 342929.62 0.0 0.0 342929.62 0.0 0.0
1230 835.5562769981634 14.931198 102449.018 0.0 0.0 458485.72 0.0 53759.37 0.0 53759.37 0.0 0.0 458485.72 0.0 53759.37 156310.12 48587.916000000005 17919.79 0.0 458485.72 102449.018 102449.018 0.0 0.0 781550.6 0.0 0.0 0.0 0.0 135420.84 0.0 107518.74 0.0 0.0 781550.6 0.0 0.0 0.0 135420.84 53759.37 0.0 0.0 781550.6 0.0 0.0 0.0 135420.84 53759.37 0.0 0.0 781550.6 0.0 0.0 0.0 0.0 135420.84 0.0 107518.74 195387.65 0.0 80979.86 146355.74 0.0 781550.6 0.0 135420.84 107518.74 0.0 781550.6 0.0 0.0 781550.6 0.0 0.0
1231 803.530522230194 14.932255 400804.8520000001 0.0 0.0 1574403.6 0.0 429620.66 0.0 429620.66 0.0 0.0 1574403.6 0.0 429620.66 577653.044 223956.65999999997 143206.88666666666 0.0 1574403.6 400804.8520000001 400804.8520000001 0.0 0.0 2598186.0 0.0 290079.22 0.0 0.0 550621.2 0.0 569162.1 0.0 0.0 2598186.0 0.0 290079.22 0.0 550621.2 284581.05 0.0 0.0 2598186.0 0.0 290079.22 0.0 550621.2 284581.05 0.0 0.0 2598186.0 0.0 290079.22 0.0 0.0 550621.2 0.0 569162.1 722066.3049999999 0.0 373261.0999999999 572578.36 96693.07333333332 2598186.0 0.0 550621.2 569162.1 0.0 2598186.0 290079.22 0.0 2598186.0 290079.22 0.0
1232 948.718834475864 14.936026 11222.261 0.0 56111.305 0.0 0.0 0.0 0.0 0.0 0.0 56111.305 0.0 0.0 0.0 22444.522 0.0 0.0 56111.305 0.0 11222.261 11222.261 0.0 112222.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56111.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56111.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 112222.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37407.53666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1233 769.4735336215634 14.942018 17347.217 0.0 0.0 86736.085 0.0 0.0 0.0 0.0 0.0 0.0 86736.085 0.0 0.0 34694.434 0.0 0.0 0.0 86736.085 17347.217 17347.217 0.0 0.0 173472.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173472.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173472.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173472.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43368.0425 0.0 0.0 24781.738571428574 0.0 173472.17 0.0 0.0 0.0 0.0 173472.17 0.0 0.0 173472.17 0.0 0.0
1234 675.4464097634637 14.945965 122637.693 0.0 0.0 475702.36500000005 0.0 137486.1 0.0 137486.1 0.0 0.0 475702.36500000005 0.0 137486.1 163515.812 81759.574 45828.700000000004 0.0 475702.36500000005 122637.693 122637.693 0.0 0.0 817579.06 0.0 0.0 0.0 0.0 133825.67 0.0 274972.2 0.0 0.0 817579.06 0.0 0.0 0.0 133825.67 137486.1 0.0 0.0 817579.06 0.0 0.0 0.0 133825.67 137486.1 0.0 0.0 817579.06 0.0 0.0 0.0 0.0 133825.67 0.0 274972.2 204394.765 0.0 136265.95666666667 175196.7042857143 0.0 817579.06 0.0 133825.67 274972.2 0.0 817579.06 0.0 0.0 817579.06 0.0 0.0
1235 751.4625038342679 14.945965 306576.245 0.0 0.0 931483.925 0.0 601397.3 0.0 601397.3 0.0 0.0 931483.925 0.0 601397.3 310429.72000000003 302722.77 200465.7666666667 0.0 931483.925 306576.245 306576.245 0.0 0.0 1552148.6 0.0 0.0 0.0 0.0 310819.25 0.0 1202794.6 0.0 0.0 1552148.6 0.0 0.0 0.0 310819.25 601397.3 0.0 0.0 1552148.6 0.0 0.0 0.0 310819.25 601397.3 0.0 0.0 1552148.6 0.0 0.0 0.0 0.0 310819.25 0.0 1202794.6 388037.15 0.0 504537.95 437966.0642857143 0.0 1552148.6 0.0 310819.25 1202794.6 0.0 1552148.6 0.0 0.0 1552148.6 0.0 0.0
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1296 395.3498950532471 15.250707 594762.73 71905.7 0.0 566131.95 2335776.0 0.0 2335776.0 0.0 71905.7 0.0 566131.95 2335776.0 0.0 1160763.1800000002 28762.28 802560.5666666668 0.0 566131.95 594762.73 594762.73 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 319018.82499999995 1557184.0 0.0 182296.4714285714 47937.13333333333 1132263.9 0.0 0.0 0.0 71905.7 1132263.9 0.0 0.0 1132263.9 0.0 143811.4
1297 764.6553543036225 15.253018 15156.27 0.0 0.0 0.0 75781.35 0.0 75781.35 0.0 0.0 0.0 0.0 75781.35 0.0 30312.54 0.0 25260.45 0.0 0.0 15156.27 15156.27 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50520.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1300 394.3465169152109 15.25949 2560302.48 0.0 2844184.3 2095032.6 7862295.5 0.0 7862295.5 0.0 0.0 2844184.3 2095032.6 7862295.5 0.0 4550426.0 570178.96 2620765.1666666665 2844184.3 2095032.6 2560302.48 2560302.48 0.0 2837473.8 4190065.2 15724591.0 0.0 0.0 2850894.8 0.0 0.0 0.0 0.0 2844184.3 4190065.2 15724591.0 0.0 0.0 0.0 0.0 0.0 2844184.3 4190065.2 15724591.0 0.0 0.0 0.0 0.0 0.0 2837473.8 4190065.2 15724591.0 0.0 0.0 2850894.8 0.0 0.0 0.0 1047516.3 6187354.933333334 950298.2666666666 1005851.4285714285 0.0 4190065.2 2850894.8 0.0 0.0 0.0 4190065.2 0.0 0.0 4190065.2 0.0 0.0
1298 567.3611943215317 15.260601 58169.380000000005 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 56347.46 59991.3 0.0 290846.9 0.0 58169.380000000005 58169.380000000005 0.0 281737.3 0.0 0.0 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281737.3 0.0 0.0 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 93912.43333333333 99985.5 42850.92857142857 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1299 584.3875548738233 15.263003 161682.134 55598.09 752812.5800000001 0.0 0.0 0.0 0.0 0.0 55598.09 752812.5800000001 0.0 0.0 0.0 155985.91999999998 167378.348 18532.696666666667 752812.5800000001 0.0 161682.134 161682.134 0.0 779929.6 0.0 0.0 0.0 111196.18 725695.56 0.0 0.0 0.0 0.0 752812.5800000001 0.0 0.0 0.0 111196.18 0.0 0.0 0.0 752812.5800000001 0.0 0.0 0.0 111196.18 0.0 0.0 0.0 779929.6 0.0 0.0 0.0 111196.18 725695.56 0.0 0.0 0.0 27799.045 259976.53333333333 241898.52000000002 119555.96285714286 37065.39333333333 0.0 725695.56 0.0 0.0 55598.09 0.0 0.0 0.0 0.0 0.0 111196.18
1301 585.3908095358511 15.268712 48861.126000000004 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 51159.346000000005 46562.906 0.0 244305.63 0.0 48861.126000000004 48861.126000000004 0.0 255796.73 0.0 0.0 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255796.73 0.0 0.0 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 85265.57666666668 77604.84333333334 33259.21857142857 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1304 1008.743283958825 15.284506 11906.024000000001 0.0 0.0 0.0 59530.12 0.0 59530.12 0.0 0.0 0.0 0.0 59530.12 0.0 23812.048000000003 0.0 19843.373333333333 0.0 0.0 11906.024000000001 11906.024000000001 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39686.746666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1306 780.5540932496481 15.294288 30319.588 0.0 0.0 0.0 151597.94 0.0 151597.94 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 60639.176 50532.64666666667 0.0 0.0 30319.588 30319.588 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 303195.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 303195.88 0.0 0.0 101065.29333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1308 469.3290268974341 15.295619 16868.789 0.0 0.0 0.0 0.0 84343.945 0.0 84343.945 0.0 0.0 0.0 0.0 84343.945 33737.578 0.0 28114.648333333334 0.0 0.0 16868.789 16868.789 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 42171.9725 0.0 0.0 24098.27 56229.29666666667 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 168687.89 0.0
1309 447.3467049654528 15.298823 174710.928 0.0 221922.04 0.0 278525.85 373106.75 278525.85 373106.75 0.0 221922.04 0.0 278525.85 373106.75 306997.38 42424.476 217210.86666666667 221922.04 0.0 174710.928 174710.928 0.0 231721.7 0.0 557051.7 746213.5 0.0 212122.38 0.0 0.0 0.0 0.0 221922.04 0.0 557051.7 746213.5 0.0 0.0 0.0 0.0 221922.04 0.0 557051.7 746213.5 0.0 0.0 0.0 0.0 231721.7 0.0 557051.7 746213.5 0.0 212122.38 0.0 0.0 0.0 186553.375 262924.4666666666 70707.46 136905.1257142857 248737.83333333334 0.0 212122.38 0.0 0.0 0.0 0.0 746213.5 0.0 0.0 746213.5 0.0
1307 558.3431475306114 15.299296 472706.09 277523.6 2086006.85 0.0 0.0 0.0 0.0 0.0 277523.6 2086006.85 0.0 0.0 0.0 443662.1 501750.07999999996 92507.86666666665 2086006.85 0.0 472706.09 472706.09 0.0 2218310.5 0.0 0.0 0.0 555047.2 1953703.2 0.0 0.0 0.0 0.0 2086006.85 0.0 0.0 0.0 555047.2 0.0 0.0 0.0 2086006.85 0.0 0.0 0.0 555047.2 0.0 0.0 0.0 2218310.5 0.0 0.0 0.0 555047.2 1953703.2 0.0 0.0 0.0 138761.8 739436.8333333334 651234.4 358392.9142857143 185015.7333333333 0.0 1953703.2 0.0 0.0 277523.6 0.0 0.0 0.0 0.0 0.0 555047.2
1310 698.4988739912726 15.31536 16203.745 0.0 0.0 0.0 81018.725 0.0 81018.725 0.0 0.0 0.0 0.0 81018.725 0.0 32407.49 0.0 27006.24166666667 0.0 0.0 16203.745 16203.745 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54012.48333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1311 468.2928979027079 15.323072 261955.2 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 260696.68 263213.72000000003 0.0 1309776.0 0.0 261955.2 261955.2 0.0 1303483.4 0.0 0.0 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1303483.4 0.0 0.0 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 434494.4666666666 438689.5333333334 188009.80000000002 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1313 960.623891374903 15.328747 76621.65 0.0 0.0 383108.25 0.0 0.0 0.0 0.0 0.0 0.0 383108.25 0.0 0.0 0.0 153243.3 0.0 0.0 383108.25 76621.65 76621.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 255405.5 109459.5 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1314 556.3275068109936 15.328985 15430.366 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 30860.732 0.0 0.0 77151.83 0.0 15430.366 15430.366 0.0 154303.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154303.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51434.55333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1315 584.3417438587107 15.330319 139034.57 77964.695 617208.155 0.0 0.0 0.0 0.0 0.0 77964.695 617208.155 0.0 0.0 0.0 132742.312 145326.828 25988.23166666667 617208.155 0.0 139034.57 139034.57 0.0 663711.56 0.0 0.0 0.0 155929.39 570704.75 0.0 0.0 0.0 0.0 617208.155 0.0 0.0 0.0 155929.39 0.0 0.0 0.0 617208.155 0.0 0.0 0.0 155929.39 0.0 0.0 0.0 663711.56 0.0 0.0 0.0 155929.39 570704.75 0.0 0.0 0.0 38982.3475 221237.18666666668 190234.91666666666 103804.87714285715 51976.46333333334 0.0 570704.75 0.0 0.0 77964.695 0.0 0.0 0.0 0.0 0.0 155929.39
1312 583.3384094338579 15.33072 332351.67000000004 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 352487.57999999996 312215.76 0.0 1661758.35 0.0 332351.67000000004 332351.67000000004 0.0 1762437.9 0.0 0.0 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1762437.9 0.0 0.0 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 587479.2999999999 520359.60000000003 223011.25714285715 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1316 585.3384318407673 15.33072 27330.653500000004 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 28914.768 25746.539 0.0 136653.26750000002 0.0 27330.653500000004 27330.653500000004 0.0 144573.84 0.0 0.0 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144573.84 0.0 0.0 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 48191.28 42910.89833333334 18390.385000000002 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1317 1022.7600177434643 15.364848 22210.117000000002 0.0 0.0 0.0 111050.585 0.0 111050.585 0.0 0.0 0.0 0.0 111050.585 0.0 44420.234000000004 0.0 37016.86166666667 0.0 0.0 22210.117000000002 22210.117000000002 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74033.72333333334 0.0 0.0 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 916.6342276739138 15.376902 91421.01 0.0 0.0 457105.05 0.0 0.0 0.0 0.0 0.0 0.0 457105.05 0.0 0.0 0.0 182842.02 0.0 0.0 457105.05 91421.01 91421.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 304736.7 130601.44285714286 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1320 536.1652038252511 15.42483 201565.854 0.0 484561.91 0.0 259754.33 263513.03 259754.33 263513.03 0.0 484561.91 0.0 259754.33 263513.03 146780.492 256351.21600000001 174422.45333333334 484561.91 0.0 201565.854 201565.854 0.0 572289.1 0.0 161613.36 0.0 0.0 396834.72 0.0 357895.3 527026.06 0.0 484561.91 0.0 161613.36 0.0 0.0 0.0 442460.68000000005 0.0 484561.91 0.0 161613.36 0.0 0.0 0.0 442460.68000000005 0.0 572289.1 0.0 161613.36 0.0 0.0 396834.72 0.0 357895.3 527026.06 0.0 363932.5866666666 307953.5933333333 131980.11142857143 0.0 0.0 396834.72 0.0 527026.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1323 652.5506222144996 15.462685 66207.376 0.0 184751.06 70446.99 0.0 75838.83 0.0 75838.83 0.0 184751.06 70446.99 0.0 75838.83 0.0 132414.752 25279.61 184751.06 70446.99 66207.376 66207.376 0.0 0.0 0.0 0.0 0.0 0.0 369502.12 140893.98 0.0 151677.66 0.0 184751.06 0.0 0.0 0.0 0.0 140893.98 75838.83 0.0 184751.06 0.0 0.0 0.0 0.0 140893.98 75838.83 0.0 0.0 0.0 0.0 0.0 0.0 369502.12 140893.98 0.0 151677.66 0.0 0.0 220691.25333333333 94581.96571428572 0.0 0.0 369502.12 140893.98 151677.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1324 653.5533570263718 15.475283 10772.131 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 21544.262 0.0 53860.655 0.0 10772.131 10772.131 0.0 0.0 0.0 0.0 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 0.0 35907.10333333333 15388.75857142857 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1325 782.569378970734 15.483943 277616.48 0.0 0.0 0.0 1388082.4 0.0 1388082.4 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 555232.96 462694.1333333333 0.0 0.0 277616.48 277616.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2776164.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2776164.8 0.0 0.0 925388.2666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1326 673.5037456532458 15.489406 13972.603 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 27945.206 0.0 0.0 69863.015 0.0 13972.603 13972.603 0.0 139726.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139726.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46575.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1330 756.5540439601211 15.532331 11336.901600000001 0.0 0.0 0.0 56684.508 0.0 56684.508 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 22673.803200000002 18894.836 0.0 0.0 11336.901600000001 11336.901600000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113369.016 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113369.016 0.0 0.0 37789.672 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1341 722.5272239325884 15.638445 40207.931000000004 46153.765 0.0 0.0 154885.89 0.0 154885.89 0.0 46153.765 0.0 0.0 154885.89 0.0 80415.86200000001 0.0 67013.21833333334 0.0 0.0 40207.931000000004 40207.931000000004 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 0.0 0.0 23076.8825 103257.26000000001 0.0 13186.789999999999 30769.176666666666 0.0 0.0 0.0 0.0 46153.765 0.0 0.0 92307.53 0.0 0.0 0.0
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1344 629.4563480013868 15.653858 11028.653999999999 0.0 0.0 0.0 55143.27 0.0 55143.27 0.0 0.0 0.0 0.0 55143.27 0.0 22057.307999999997 0.0 18381.09 0.0 0.0 11028.653999999999 11028.653999999999 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36762.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1347 708.511644727409 15.656906 46938.407999999996 0.0 0.0 165453.235 0.0 69238.805 0.0 69238.805 0.0 0.0 165453.235 0.0 69238.805 93876.81599999999 0.0 23079.601666666666 0.0 165453.235 46938.407999999996 46938.407999999996 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 117346.01999999999 0.0 0.0 67054.86857142857 46159.20333333333 330906.47 0.0 0.0 0.0 0.0 330906.47 138477.61 0.0 330906.47 138477.61 0.0
1349 765.5780829375414 15.664874 11896.628999999999 0.0 0.0 0.0 0.0 59483.145 0.0 59483.145 0.0 0.0 0.0 0.0 59483.145 23793.257999999998 0.0 19827.715 0.0 0.0 11896.628999999999 11896.628999999999 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 29741.5725 0.0 0.0 16995.184285714284 39655.43 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 118966.29 0.0
1350 615.4087935270576 15.666256 23748.166 118740.83 0.0 0.0 0.0 0.0 0.0 0.0 118740.83 0.0 0.0 0.0 0.0 0.0 47496.332 39580.276666666665 0.0 0.0 23748.166 23748.166 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 59370.415 0.0 0.0 33925.95142857143 79160.55333333333 0.0 0.0 0.0 0.0 118740.83 0.0 0.0 0.0 0.0 0.0 237481.66
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1355 784.5850858543504 15.673011 101441.56999999999 0.0 0.0 0.0 507207.85 0.0 507207.85 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 202883.13999999998 169069.28333333333 0.0 0.0 101441.56999999999 101441.56999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1014415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1014415.7 0.0 0.0 338138.56666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1379 811.7579893951417 15.934904 20450.356 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 40900.712 0.0 102251.78 0.0 20450.356 20450.356 0.0 0.0 0.0 0.0 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 0.0 68167.85333333333 29214.794285714284 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1381 697.4800070605079 15.942785 11822.314 0.0 0.0 0.0 59111.57 0.0 59111.57 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 23644.628 19703.856666666667 0.0 0.0 11822.314 11822.314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118223.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118223.14 0.0 0.0 39407.71333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1397 663.5312925345731 16.06077 10421.234 0.0 0.0 52106.17 0.0 0.0 0.0 0.0 0.0 0.0 52106.17 0.0 0.0 0.0 20842.468 0.0 0.0 52106.17 10421.234 10421.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 34737.44666666666 14887.477142857142 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1398 603.4956544388879 16.064285 85672.11 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 171344.22 0.0 0.0 428360.55 0.0 85672.11 85672.11 0.0 856721.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 856721.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 285573.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1399 609.5449301491526 16.069044 86593.85 0.0 0.0 0.0 432969.25 0.0 432969.25 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 173187.7 144323.08333333334 0.0 0.0 86593.85 86593.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865938.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865938.5 0.0 0.0 288646.1666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1400 598.5403709285113 16.072166 260860.614 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 487616.04000000004 34105.188 0.0 1304303.07 0.0 260860.614 260860.614 0.0 2438080.2 0.0 0.0 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2438080.2 0.0 0.0 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 812693.4 56841.98 24360.84857142857 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1401 548.5035572865368 16.073933 470481.82 455961.53 68662.97 190571.125 1466806.165 170407.31 1466806.165 170407.31 455961.53 68662.97 190571.125 1466806.165 170407.31 809741.962 131221.67799999999 697725.0016666667 68662.97 190571.125 470481.82 470481.82 911923.06 0.0 381142.25 2755644.5 0.0 0.0 137325.94 0.0 177967.83 340814.62 911923.06 68662.97 381142.25 2755644.5 0.0 0.0 0.0 259391.22499999998 911923.06 68662.97 381142.25 2755644.5 0.0 0.0 0.0 259391.22499999998 911923.06 0.0 381142.25 2755644.5 0.0 0.0 137325.94 0.0 177967.83 340814.62 323266.3275 977870.7766666667 159380.18666666668 253029.41 303974.35333333333 381142.25 137325.94 0.0 340814.62 455961.53 381142.25 0.0 911923.06 381142.25 0.0 0.0
1402 1276.0861153678866 16.084686 10430.1055 0.0 0.0 0.0 52150.5275 0.0 52150.5275 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 20860.211 17383.509166666667 0.0 0.0 10430.1055 10430.1055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104301.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104301.055 0.0 0.0 34767.01833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1403 654.6025963735254 16.097301 71209.925 0.0 0.0 0.0 0.0 356049.625 0.0 356049.625 0.0 0.0 0.0 0.0 356049.625 0.0 142419.85 118683.20833333333 0.0 0.0 71209.925 71209.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356049.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356049.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 237366.41666666666 101728.46428571429 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1404 649.5373468282482 16.100029 19989.725 0.0 0.0 0.0 99948.625 0.0 99948.625 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 39979.45 33316.208333333336 0.0 0.0 19989.725 19989.725 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199897.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199897.25 0.0 0.0 66632.41666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1405 684.5929318391354 16.111872 13660.779999999999 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 27321.559999999998 0.0 68303.9 0.0 13660.779999999999 13660.779999999999 0.0 0.0 0.0 0.0 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 0.0 45535.93333333333 19515.399999999998 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1406 624.5558780012396 16.113148 24875.019 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 49750.038 0.0 0.0 124375.095 0.0 24875.019 24875.019 0.0 248750.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 248750.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82916.73 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
1407 930.7752280596312 16.12997 9534.053 0.0 0.0 0.0 0.0 47670.265 0.0 47670.265 0.0 0.0 0.0 0.0 47670.265 0.0 19068.106 15890.088333333333 0.0 0.0 9534.053 9534.053 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47670.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47670.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 31780.176666666666 13620.075714285715 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1408 475.41449348494 16.134884 13479.978 0.0 0.0 0.0 67399.89 0.0 67399.89 0.0 0.0 0.0 0.0 67399.89 0.0 26959.956 0.0 22466.63 0.0 0.0 13479.978 13479.978 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44933.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1409 635.5221817992559 16.134884 20925.238 0.0 0.0 0.0 104626.19 0.0 104626.19 0.0 0.0 0.0 0.0 104626.19 0.0 41850.476 0.0 34875.39666666667 0.0 0.0 20925.238 20925.238 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69750.79333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1410 644.5822171742495 16.15023 70578.95 0.0 0.0 0.0 352894.75 0.0 352894.75 0.0 0.0 0.0 0.0 352894.75 0.0 29110.140000000003 112047.76000000001 117631.58333333333 0.0 0.0 70578.95 70578.95 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 0.0 560238.8 0.0 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 280119.4 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 280119.4 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 0.0 560238.8 0.0 0.0 235263.16666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1411 630.5659118857878 16.150703 16964.817000000003 0.0 0.0 0.0 84824.085 0.0 84824.085 0.0 0.0 0.0 0.0 84824.085 0.0 33929.634000000005 0.0 28274.695000000003 0.0 0.0 16964.817000000003 16964.817000000003 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56549.39000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1412 577.5185360379013 16.17582 51918.056 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 103836.112 0.0 0.0 259590.28 0.0 51918.056 51918.056 0.0 519180.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 519180.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173060.18666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1413 776.624790682319 16.17582 13039.186 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 26078.372 0.0 0.0 65195.93 0.0 13039.186 13039.186 0.0 130391.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130391.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43463.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1414 1207.0793515511384 16.17582 25139.435999999998 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 50278.871999999996 0.0 0.0 125697.18 0.0 25139.435999999998 25139.435999999998 0.0 251394.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 251394.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83798.12 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
1415 1212.0343975593844 16.17582 48632.994 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 97265.988 0.0 0.0 243164.97 0.0 48632.994 48632.994 0.0 486329.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 486329.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162109.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1416 612.5561347069131 16.184029 378238.174 0.0 1891190.8699999999 0.0 0.0 0.0 0.0 0.0 0.0 1891190.8699999999 0.0 0.0 0.0 682464.96 74011.388 0.0 1891190.8699999999 0.0 378238.174 378238.174 0.0 3412324.8 0.0 0.0 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 1891190.8699999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1891190.8699999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3412324.8 0.0 0.0 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 1137441.5999999999 123352.31333333334 52865.27714285714 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1417 617.511400954073 16.184029 153983.108 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 265303.04 42663.176 0.0 769915.54 0.0 153983.108 153983.108 0.0 1326515.2 0.0 0.0 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1326515.2 0.0 0.0 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 442171.73333333334 71105.29333333333 30473.697142857145 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1418 673.4801713752064 16.196323 14132.470000000001 0.0 0.0 0.0 70662.35 0.0 70662.35 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 28264.940000000002 23554.11666666667 0.0 0.0 14132.470000000001 14132.470000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141324.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141324.7 0.0 0.0 47108.23333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1419 1186.019097058749 16.207613 19783.420000000002 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 39566.840000000004 0.0 0.0 98917.1 0.0 19783.420000000002 19783.420000000002 0.0 197834.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197834.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65944.73333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1420 591.4959689870118 16.220495 117959.99799999999 0.0 83440.74 127671.615 317505.95 61181.685 317505.95 61181.685 0.0 83440.74 127671.615 317505.95 61181.685 235919.99599999998 0.0 126229.21166666667 83440.74 127671.615 117959.99799999999 117959.99799999999 0.0 166881.48 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 0.0 0.0 83440.74 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 83440.74 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 166881.48 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 0.0 94426.65 267297.79333333333 0.0 53958.08571428571 40787.79 255343.23 0.0 0.0 0.0 0.0 255343.23 122363.37 0.0 255343.23 122363.37 0.0
1421 586.5403750253672 16.227623 60038.322 0.0 115389.03 0.0 184802.58 0.0 184802.58 0.0 0.0 115389.03 0.0 184802.58 0.0 120076.644 0.0 61600.85999999999 115389.03 0.0 60038.322 60038.322 0.0 230778.06 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115389.03 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 115389.03 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 230778.06 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200127.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1422 1160.00434648401 16.230766 36159.331 0.0 0.0 75786.42 105010.235 0.0 105010.235 0.0 0.0 0.0 75786.42 105010.235 0.0 72318.662 0.0 35003.41166666667 0.0 75786.42 36159.331 36159.331 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 37893.21 70006.82333333333 0.0 21653.262857142858 0.0 151572.84 0.0 0.0 0.0 0.0 151572.84 0.0 0.0 151572.84 0.0 0.0
1423 647.4584384801964 16.24676 141177.489 97051.82 0.0 0.0 483721.435 125114.19 483721.435 125114.19 97051.82 0.0 0.0 483721.435 125114.19 197607.248 84747.73000000001 235295.81500000003 0.0 0.0 141177.489 141177.489 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 0.0 173510.27 250228.38 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 211869.325 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 211869.325 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 0.0 173510.27 250228.38 48525.91 322480.95666666667 83409.46 63476.00285714286 64701.21333333334 0.0 0.0 0.0 250228.38 97051.82 0.0 0.0 194103.64 0.0 0.0 0.0
1424 551.5031175243948 16.247633 15105.598000000002 0.0 0.0 0.0 75527.99 0.0 75527.99 0.0 0.0 0.0 0.0 75527.99 0.0 30211.196000000004 0.0 25175.99666666667 0.0 0.0 15105.598000000002 15105.598000000002 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50351.99333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1426 506.4718193466806 16.263575 22681.919 0.0 0.0 0.0 113409.595 0.0 113409.595 0.0 0.0 0.0 0.0 113409.595 0.0 45363.838 0.0 37803.198333333334 0.0 0.0 22681.919 22681.919 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75606.39666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1427 638.5717855898666 16.273102 9711.9 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 19423.8 0.0 48559.5 0.0 9711.9 9711.9 0.0 0.0 0.0 0.0 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 0.0 32373.0 13874.142857142857 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1428 668.618456904167 16.27497 14685.219000000001 0.0 0.0 0.0 0.0 73426.095 0.0 73426.095 0.0 0.0 0.0 0.0 73426.095 0.0 29370.438000000002 24475.365 0.0 0.0 14685.219000000001 14685.219000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73426.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73426.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 48950.73 20978.884285714284 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1429 565.5666649025528 16.317085 124694.856 0.0 0.0 0.0 358418.21 265056.07 358418.21 265056.07 0.0 0.0 0.0 358418.21 265056.07 142196.784 107192.928 207824.76 0.0 0.0 124694.856 124694.856 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 0.0 195194.52 340770.12 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 267982.32 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 267982.32 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 0.0 195194.52 340770.12 47335.505 238945.47333333336 113590.04 75730.30571428571 63114.00666666666 0.0 0.0 0.0 340770.12 0.0 0.0 189342.02 0.0 0.0 189342.02 0.0
1430 565.5186038389527 16.319542 13991.333999999999 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 27982.667999999998 0.0 0.0 69956.67 0.0 13991.333999999999 13991.333999999999 0.0 139913.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139913.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46637.78 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
1431 591.5342346066373 16.319542 18807.369 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 37614.738 0.0 0.0 94036.845 0.0 18807.369 18807.369 0.0 188073.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188073.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62691.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1432 676.5850966966406 16.320747 44056.022 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 88112.044 0.0 220280.11 0.0 44056.022 44056.022 0.0 0.0 0.0 0.0 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 0.0 146853.40666666665 62937.17428571428 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1433 619.5264947859304 16.330982 22316.988 111584.94 0.0 0.0 0.0 0.0 0.0 0.0 111584.94 0.0 0.0 0.0 0.0 44633.976 0.0 37194.98 0.0 0.0 22316.988 22316.988 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55792.47 0.0 0.0 31881.411428571428 74389.96 0.0 0.0 0.0 0.0 111584.94 0.0 0.0 223169.88 0.0 0.0 0.0
1435 626.5716408015104 16.351238 161403.72 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 322807.44 0.0 0.0 807018.6 0.0 161403.72 161403.72 0.0 1614037.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1614037.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538012.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1436 631.5269165181998 16.351238 70267.8 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 140535.6 0.0 0.0 351339.0 0.0 70267.8 70267.8 0.0 702678.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 702678.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 234226.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1437 1209.0946957685712 16.351238 12065.193 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 24130.386 0.0 0.0 60325.965 0.0 12065.193 12065.193 0.0 120651.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120651.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40217.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1438 600.5559793484733 16.366983 72680.81 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 145361.62 0.0 0.0 363404.05 0.0 72680.81 72680.81 0.0 726808.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 726808.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242269.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1439 1188.034883823506 16.366983 18229.954999999998 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 36459.909999999996 0.0 0.0 91149.775 0.0 18229.954999999998 18229.954999999998 0.0 182299.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182299.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60766.51666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1440 605.5115357980126 16.368164 76947.763 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 129103.25 24792.276 0.0 384738.815 0.0 76947.763 76947.763 0.0 645516.25 0.0 0.0 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 0.0 645516.25 0.0 0.0 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 215172.08333333334 41320.46 17708.768571428573 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1441 654.602700968097 16.379902 254719.413 0.0 1144908.4 128688.665 0.0 0.0 0.0 0.0 0.0 1144908.4 128688.665 0.0 0.0 0.0 509438.826 0.0 1144908.4 128688.665 254719.413 254719.413 0.0 0.0 0.0 0.0 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 1144908.4 0.0 0.0 0.0 0.0 257377.33 0.0 0.0 1144908.4 0.0 0.0 0.0 0.0 257377.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 0.0 849064.71 363884.8757142857 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1442 587.5489537025809 16.389107 11512.062 0.0 0.0 0.0 0.0 57560.31 0.0 57560.31 0.0 0.0 0.0 0.0 57560.31 23024.124 0.0 19186.77 0.0 0.0 11512.062 11512.062 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 28780.155 0.0 0.0 16445.802857142855 38373.54 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 115120.62 0.0
1443 750.6395499965065 16.392391 41142.333999999995 0.0 205711.66999999998 0.0 0.0 0.0 0.0 0.0 0.0 205711.66999999998 0.0 0.0 0.0 38449.572 43835.096000000005 0.0 205711.66999999998 0.0 41142.333999999995 41142.333999999995 0.0 192247.86 0.0 0.0 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 205711.66999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205711.66999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192247.86 0.0 0.0 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 64082.619999999995 73058.49333333333 31310.782857142858 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1444 577.5157786258899 16.411015 17691.531 88457.655 0.0 0.0 0.0 0.0 0.0 0.0 88457.655 0.0 0.0 0.0 0.0 35383.062 0.0 29485.885 0.0 0.0 17691.531 17691.531 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44228.8275 0.0 0.0 25273.615714285716 58971.77 0.0 0.0 0.0 0.0 88457.655 0.0 0.0 176915.31 0.0 0.0 0.0
1446 682.6343876215353 16.436756 67512.6 0.0 0.0 0.0 0.0 337563.0 0.0 337563.0 0.0 0.0 0.0 0.0 337563.0 0.0 135025.2 112521.0 0.0 0.0 67512.6 67512.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337563.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337563.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 225042.0 96446.57142857143 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1447 704.6160949882536 16.436756 15734.966 0.0 0.0 0.0 0.0 78674.83 0.0 78674.83 0.0 0.0 0.0 0.0 78674.83 0.0 31469.932 26224.943333333333 0.0 0.0 15734.966 15734.966 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78674.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78674.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 52449.886666666665 22478.522857142856 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1448 633.5420348731512 16.491585 12924.9516 64624.758 0.0 0.0 0.0 0.0 0.0 0.0 64624.758 0.0 0.0 0.0 0.0 25849.9032 0.0 21541.586 0.0 0.0 12924.9516 12924.9516 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32312.379 0.0 0.0 18464.216571428573 43083.172 0.0 0.0 0.0 0.0 64624.758 0.0 0.0 129249.516 0.0 0.0 0.0
1449 579.5343124898897 16.494984 39965.966 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 79931.932 0.0 0.0 199829.83 0.0 39965.966 39965.966 0.0 399659.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 399659.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133219.88666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1450 640.5874910949103 16.494984 21545.764000000003 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 43091.528000000006 0.0 0.0 107728.82 0.0 21545.764000000003 21545.764000000003 0.0 215457.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 215457.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71819.21333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1453 638.6081038139024 16.51513 13619.519 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 27239.038 0.0 68097.595 0.0 13619.519 13619.519 0.0 0.0 0.0 0.0 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 0.0 45398.39666666667 19456.455714285716 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1454 668.618564405976 16.51513 52289.844 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 104579.688 0.0 261449.22 0.0 52289.844 52289.844 0.0 0.0 0.0 0.0 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 0.0 174299.48 74699.77714285714 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1455 480.513673003908 16.517466 269424.3896 367956.5 151086.64299999998 66964.805 761114.0 0.0 761114.0 0.0 367956.5 151086.64299999998 66964.805 761114.0 0.0 329480.50320000004 209368.276 376356.8333333333 151086.64299999998 66964.805 269424.3896 269424.3896 0.0 125174.516 0.0 1522228.0 0.0 735913.0 176998.77 133929.61 0.0 0.0 0.0 151086.64299999998 0.0 1522228.0 0.0 735913.0 133929.61 0.0 0.0 151086.64299999998 0.0 1522228.0 0.0 735913.0 133929.61 0.0 0.0 125174.516 0.0 1522228.0 0.0 735913.0 176998.77 133929.61 0.0 0.0 183978.25 549134.172 103642.79333333333 149548.76857142858 245304.33333333334 0.0 176998.77 133929.61 0.0 367956.5 0.0 0.0 0.0 0.0 0.0 735913.0
1456 1211.1106048102697 16.526543 44450.003000000004 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 88900.00600000001 0.0 0.0 222250.015 0.0 44450.003000000004 44450.003000000004 0.0 444500.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444500.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148166.67666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1457 918.723625258892 16.549076 11050.444 0.0 0.0 0.0 55252.22 0.0 55252.22 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 22100.888 18417.406666666666 0.0 0.0 11050.444 11050.444 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110504.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110504.44 0.0 0.0 36834.81333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1458 1216.066229962075 16.561253 132249.908 0.0 457527.4 84083.79 119638.35 0.0 119638.35 0.0 0.0 457527.4 84083.79 119638.35 0.0 264499.816 0.0 39879.450000000004 457527.4 84083.79 132249.908 132249.908 0.0 915054.8 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 457527.4 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 457527.4 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 915054.8 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 0.0 42041.895 384777.1666666667 0.0 24023.94 0.0 168167.58 0.0 0.0 0.0 0.0 168167.58 0.0 0.0 168167.58 0.0 0.0
1459 656.6185510449894 16.564077 21831.114 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 43662.228 0.0 109155.57 0.0 21831.114 21831.114 0.0 0.0 0.0 0.0 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 0.0 72770.38 31187.305714285718 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1460 824.7703116279262 16.564077 21849.362 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 43698.724 0.0 109246.81 0.0 21849.362 21849.362 0.0 0.0 0.0 0.0 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 0.0 72831.20666666667 31213.374285714286 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1461 912.76499640248 16.56474 35753.78 0.0 0.0 0.0 178768.9 0.0 178768.9 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 71507.56 59589.63333333333 0.0 0.0 35753.78 35753.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357537.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357537.8 0.0 0.0 119179.26666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1462 917.7202337904052 16.56474 21778.616 0.0 0.0 0.0 108893.08 0.0 108893.08 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 43557.232 36297.693333333336 0.0 0.0 21778.616 21778.616 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217786.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217786.16 0.0 0.0 72595.38666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1463 619.5272874363694 16.56581 299174.537 0.0 819307.535 160471.4 410955.28 105138.47 410955.28 105138.47 0.0 819307.535 160471.4 410955.28 105138.47 557701.9800000001 40647.094 172031.25 819307.535 160471.4 299174.537 299174.537 0.0 1435379.6 320942.8 821910.56 210276.94 0.0 203235.47 0.0 0.0 0.0 0.0 819307.535 320942.8 821910.56 210276.94 0.0 0.0 0.0 0.0 819307.535 320942.8 821910.56 210276.94 0.0 0.0 0.0 0.0 1435379.6 320942.8 821910.56 210276.94 0.0 203235.47 0.0 0.0 0.0 132804.935 752430.0533333333 67745.15666666666 104922.17285714285 70092.31333333334 320942.8 203235.47 0.0 0.0 0.0 320942.8 210276.94 0.0 320942.8 210276.94 0.0
1464 614.5717721346934 16.580555 212838.76299999998 0.0 889620.3 0.0 174573.515 0.0 174573.515 0.0 0.0 889620.3 0.0 174573.515 0.0 425677.52599999995 0.0 58191.17166666667 889620.3 0.0 212838.76299999998 212838.76299999998 0.0 1779240.6 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 889620.3 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 889620.3 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 1779240.6 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 709462.5433333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1465 707.5219477225627 16.613121 53767.46 0.0 0.0 0.0 268837.3 0.0 268837.3 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 107534.92 89612.43333333333 0.0 0.0 53767.46 53767.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537674.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537674.6 0.0 0.0 179224.86666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1466 628.5870616958691 16.617615 172003.002 0.0 766305.9 0.0 93709.11 0.0 93709.11 0.0 0.0 766305.9 0.0 93709.11 0.0 306522.36 37483.644 31236.37 766305.9 0.0 172003.002 172003.002 0.0 1532611.8 0.0 0.0 0.0 0.0 0.0 0.0 187418.22 0.0 0.0 766305.9 0.0 0.0 0.0 0.0 0.0 93709.11 0.0 766305.9 0.0 0.0 0.0 0.0 0.0 93709.11 0.0 1532611.8 0.0 0.0 0.0 0.0 0.0 0.0 187418.22 0.0 0.0 573343.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1467 1244.0962804819478 16.617615 96895.161 0.0 389313.0 0.0 95162.805 0.0 95162.805 0.0 0.0 389313.0 0.0 95162.805 0.0 155725.2 38065.121999999996 31720.934999999998 389313.0 0.0 96895.161 96895.161 0.0 778626.0 0.0 0.0 0.0 0.0 0.0 0.0 190325.61 0.0 0.0 389313.0 0.0 0.0 0.0 0.0 0.0 95162.805 0.0 389313.0 0.0 0.0 0.0 0.0 0.0 95162.805 0.0 778626.0 0.0 0.0 0.0 0.0 0.0 0.0 190325.61 0.0 0.0 322983.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1468 537.5237437773573 16.622608 11460.685000000001 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 22921.370000000003 0.0 0.0 57303.425 0.0 11460.685000000001 11460.685000000001 0.0 114606.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114606.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38202.28333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1469 1230.081022345664 16.622608 9732.684 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 19465.368 0.0 0.0 48663.42 0.0 9732.684 9732.684 0.0 97326.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97326.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32442.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1470 494.5295638133517 16.634565 27125.506 0.0 0.0 0.0 135627.53 0.0 135627.53 0.0 0.0 0.0 0.0 135627.53 0.0 54251.012 0.0 45209.176666666666 0.0 0.0 27125.506 27125.506 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90418.35333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1471 572.5610137916473 16.638563 24457.022 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 48914.044 0.0 0.0 122285.11 0.0 24457.022 24457.022 0.0 244570.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 244570.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81523.40666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1472 577.5164106861771 16.638563 35199.21 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 70398.42 0.0 0.0 175996.05 0.0 35199.21 35199.21 0.0 351992.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351992.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 117330.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1473 1188.0713273093695 16.638563 20607.728 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 41215.456 0.0 0.0 103038.64 0.0 20607.728 20607.728 0.0 206077.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206077.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68692.42666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1474 729.5038705553293 16.644869 9439.592999999999 0.0 0.0 0.0 47197.965 0.0 47197.965 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 18879.185999999998 15732.654999999999 0.0 0.0 9439.592999999999 9439.592999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94395.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94395.93 0.0 0.0 31465.309999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1475 463.4481240217725 16.649525 31894.984999999997 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 39782.42 24007.55 0.0 159474.925 0.0 31894.984999999997 31894.984999999997 0.0 198912.1 0.0 0.0 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198912.1 0.0 0.0 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 66304.03333333334 40012.583333333336 17148.25 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1476 593.5496579352649 16.68595 28344.396999999997 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 56688.793999999994 0.0 0.0 141721.985 0.0 28344.396999999997 28344.396999999997 0.0 283443.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 283443.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94481.32333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1477 633.5426237899305 16.688995 210927.05440000002 0.0 817409.182 0.0 237226.09000000003 0.0 237226.09000000003 0.0 0.0 817409.182 0.0 237226.09000000003 0.0 343982.736 77871.3728 79075.36333333334 817409.182 0.0 210927.05440000002 210927.05440000002 0.0 1535277.2 0.0 184636.48 0.0 0.0 99541.164 0.0 289815.7 0.0 0.0 817409.182 0.0 184636.48 0.0 0.0 0.0 144907.85 0.0 817409.182 0.0 184636.48 0.0 0.0 0.0 144907.85 0.0 1535277.2 0.0 184636.48 0.0 0.0 99541.164 0.0 289815.7 0.0 0.0 669909.7933333333 33180.388 14220.166285714286 0.0 0.0 99541.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1478 629.5905908687764 16.701881 63340.60600000001 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 126681.21200000001 0.0 0.0 316703.03 0.0 63340.60600000001 63340.60600000001 0.0 633406.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 633406.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211135.35333333336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1479 1239.1411510729713 16.701881 32633.8 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 65267.6 0.0 0.0 163169.0 0.0 32633.8 32633.8 0.0 326338.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 326338.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108779.33333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1480 704.6161991121241 16.709578 67146.56999999999 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 134293.13999999998 0.0 335732.85 0.0 67146.56999999999 67146.56999999999 0.0 0.0 0.0 0.0 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 0.0 223821.9 95923.67142857143 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1481 861.6582657602195 16.775545 9713.866 0.0 0.0 0.0 0.0 48569.33 0.0 48569.33 0.0 0.0 0.0 0.0 48569.33 0.0 19427.732 16189.776666666667 0.0 0.0 9713.866 9713.866 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48569.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48569.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 32379.553333333333 13876.951428571429 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1482 1202.0870566906444 16.782251 10078.284 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 20156.568 0.0 0.0 50391.42 0.0 10078.284 10078.284 0.0 100782.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100782.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33594.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1486 682.6339942044672 16.795353 246003.25 0.0 1094654.1 135362.15 0.0 0.0 0.0 0.0 0.0 1094654.1 135362.15 0.0 0.0 0.0 492006.5 0.0 1094654.1 135362.15 246003.25 246003.25 0.0 0.0 0.0 0.0 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 1094654.1 0.0 0.0 0.0 0.0 270724.3 0.0 0.0 1094654.1 0.0 0.0 0.0 0.0 270724.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 0.0 820010.8333333334 351433.21428571426 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1489 470.4355120502738 16.82997 11336.699 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 22673.398 0.0 0.0 56683.495 0.0 11336.699 11336.699 0.0 113366.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113366.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37788.996666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1490 551.539535747914 16.82997 14115.189000000002 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 28230.378000000004 0.0 0.0 70575.945 0.0 14115.189000000002 14115.189000000002 0.0 141151.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141151.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47050.630000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1491 530.5270263269509 16.843334 11317.2555 0.0 0.0 0.0 56586.2775 0.0 56586.2775 0.0 0.0 0.0 0.0 56586.2775 0.0 22634.511 0.0 18862.0925 0.0 0.0 11317.2555 11317.2555 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37724.185 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1492 591.5320674691548 16.845957 69055.91 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 138111.82 0.0 0.0 345279.55 0.0 69055.91 69055.91 0.0 690559.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 690559.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230186.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1494 586.576725678151 16.861965 39063.89 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 78127.78 0.0 0.0 195319.45 0.0 39063.89 39063.89 0.0 390638.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390638.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130212.96666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1512 600.5922916824323 17.069965 14183.898000000001 0.0 70919.49 0.0 0.0 0.0 0.0 0.0 0.0 70919.49 0.0 0.0 0.0 28367.796000000002 0.0 0.0 70919.49 0.0 14183.898000000001 14183.898000000001 0.0 141838.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70919.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70919.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141838.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47279.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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1530 666.581750188733 17.554314 235020.1 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 235068.63999999998 234971.56 0.0 1175100.5 0.0 235020.1 235020.1 0.0 1175343.2 0.0 0.0 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1175343.2 0.0 0.0 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 391781.06666666665 391619.26666666666 167836.82857142857 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1532 877.5411844015249 17.568823 43663.562 0.0 0.0 0.0 218317.81 0.0 218317.81 0.0 0.0 0.0 0.0 218317.81 0.0 87327.124 0.0 72772.60333333333 0.0 0.0 43663.562 43663.562 0.0 0.0 0.0 436635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 436635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 436635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 436635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145545.20666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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nf_output/networking/filtered_pairs.tsv 0000644 0000000 0000000 00000127355 14622715346 017547 0 ustar root root CLUSTERID1 CLUSTERID2 ComponentIndex Cosine DeltaMZ
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1219 1224 19 0.785 102.105
1219 1229 19 0.7862 178.121
1219 1231 19 0.8633 18.011
1219 1234 19 0.8109 146.095
1219 1238 19 0.8298 -25.979
1219 1284 19 0.8647 -49.052
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1214 1222 19 0.829 -2.014
1214 1230 19 0.8223 79.064
1214 1231 19 0.7823 111.090
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1214 1275 19 0.8027 -16.031
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1217 1231 19 0.867 1.003
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1217 1238 19 0.7477 -42.987
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1147 1313 19 0.8413 -28.030
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1218 1224 19 0.765 52.069
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1218 1231 19 0.8752 -32.025
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1218 1238 19 0.7462 -76.015
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1248 1249 19 0.888 28.030
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1231 1238 19 0.7905 -43.990
1231 1284 19 0.8283 -67.063
1231 1318 19 0.7637 -113.104
1071 1277 19 0.892 -110.072
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1145 1277 19 0.8343 34.005
1162 1277 19 0.8361 3.995
1249 1277 19 0.8964 18.011
1277 1282 19 0.9103 -60.058
1103 1116 19 0.932 0.001
1116 1162 19 0.8131 -14.018
1206 1284 19 0.9062 18.011
1222 1284 19 0.8311 46.041
1230 1284 19 0.8429 -35.037
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1284 1318 19 0.859 -46.041
944 1074 19 0.8825 -128.082
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1074 1158 19 0.9039 -14.016
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1222 1318 19 0.7869 0.000
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1223 1234 19 0.7174 11.963
1223 1238 19 0.7932 -160.111
1230 1234 19 0.7851 160.110
1230 1275 19 0.7722 -95.095
1230 1318 19 0.8131 -81.078
1207 1279 19 0.7462 -11.006
944 1158 19 0.7579 -142.098
1206 1318 19 0.8986 -28.030
1275 1318 19 0.9181 14.017
1224 1234 19 0.78 43.990
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1118 1189 19 0.904 -14.015
1103 1162 19 0.8182 -14.017
1145 1162 19 0.7919 30.010
1224 1229 19 0.7677 76.016
1233 1235 19 0.7121 18.011
1169 1265 19 0.8296 1.979
1189 1279 19 0.7936 -28.030
1206 1279 19 0.8466 -14.015
1265 1279 19 0.7377 43.990
1071 1131 19 0.8653 -144.078
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1071 1145 19 0.838 -144.077
1071 1206 19 0.8155 -84.093
1071 1282 19 0.8163 -170.130
1158 1189 19 0.7023 57.021
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1224 1238 19 0.8492 -128.084
1235 1238 19 0.7528 -96.058
1238 1239 19 0.7498 -32.026
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1206 1275 19 0.8861 -42.047
1237 1239 19 0.7211 79.062
1237 1282 19 0.8203 -16.032
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1041 1180 23 0.8967 -100.089
1044 1180 23 0.9191 -56.063
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1177 1180 23 0.9251 44.026
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1180 1253 23 0.8718 -116.084
1180 1254 23 0.8918 -72.057
1180 1258 23 0.9224 -28.031
1180 1272 23 0.895 60.021
1038 1272 23 0.8913 -84.094
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1044 1272 23 0.8766 3.958
1185 1272 23 0.9431 -28.031
1188 1272 23 0.8638 -72.058
1253 1272 23 0.8726 176.105
1254 1272 23 0.8869 132.079
1258 1272 23 0.8885 88.053
1272 1274 23 0.9154 44.026
1232 1245 23 0.9054 88.052
1244 1245 23 0.9274 44.026
1245 1247 23 0.9313 44.026
1245 1253 23 0.9001 88.052
1245 1254 23 0.8577 132.079
1040 1176 23 0.8656 -100.089
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1176 1185 23 0.8853 176.105
1176 1247 23 0.907 -72.058
1176 1253 23 0.9347 -28.032
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1176 1258 23 0.8836 60.021
1040 1253 23 0.8659 -128.120
1177 1253 23 0.9136 -72.058
1244 1253 23 0.8746 132.078
1247 1253 23 0.9327 44.026
1253 1254 23 0.9341 44.027
1253 1258 23 0.9103 88.053
1069 1073 23 0.9185 44.027
1069 1075 23 0.9269 88.053
1107 1126 23 0.92 132.079
1108 1126 23 0.8012 88.053
1117 1126 23 0.924 44.026
1119 1126 23 0.8785 -88.053
1126 1127 23 0.8454 44.026
1126 1130 23 0.8428 132.079
1056 1130 23 0.7796 -28.031
1117 1130 23 0.7989 176.105
1119 1130 23 0.9226 44.026
1127 1130 23 0.8947 88.052
1038 1048 23 0.8918 88.052
1042 1048 23 0.9065 44.026
1048 1056 23 0.9007 44.026
1048 1188 23 0.8304 -100.089
1048 1190 23 0.9012 -56.062
1048 1280 23 0.8902 -84.094
1048 1286 23 0.8361 -40.068
1232 1244 23 0.912 44.026
1244 1247 23 0.8965 88.052
1056 1286 23 0.9314 -84.094
1188 1286 23 0.844 60.021
1190 1286 23 0.8939 15.995
1274 1286 23 0.8619 88.052
1280 1286 23 0.9411 44.026
1286 1289 23 0.8668 44.026
1041 1182 23 0.8476 -56.063
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1032 1108 23 0.8259 -28.031
1075 1108 23 0.8265 -14.016
1107 1108 23 0.8051 44.026
1108 1117 23 0.7982 44.026
1108 1119 23 0.7191 176.105
1108 1127 23 0.7664 132.079
1042 1190 23 0.8832 -12.036
1056 1190 23 0.867 -100.089
1185 1190 23 0.8739 88.052
1188 1190 23 0.9297 44.026
1190 1274 23 0.8579 -72.057
1190 1280 23 0.9321 -28.031
1032 1036 23 0.8486 176.105
1036 1119 23 0.9196 -28.031
1280 1289 23 0.8515 88.052
1040 1254 23 0.8975 -84.094
1044 1254 23 0.8525 -128.120
1177 1254 23 0.9278 -28.031
1247 1254 23 0.9238 88.053
1254 1258 23 0.9169 44.026
1038 1041 23 0.9279 -44.026
1040 1041 23 0.9134 88.053
1041 1042 23 0.8958 88.052
1041 1044 23 0.9173 -44.026
1041 1185 23 0.8969 -12.036
1041 1274 23 0.8808 3.958
1042 1280 23 0.8748 -40.068
1056 1280 23 0.8792 -128.120
1188 1280 23 0.8922 15.995
1274 1280 23 0.9009 44.026
1032 1075 23 0.9516 -14.015
1075 1117 23 0.7313 30.010
1107 1117 23 0.9168 88.053
1117 1119 23 0.8401 132.079
1117 1127 23 0.8853 88.052
1038 1044 23 0.8852 -88.052
1040 1044 23 0.9237 44.026
1042 1044 23 0.8594 -132.079
1044 1177 23 0.8632 -100.089
1044 1185 23 0.856 31.990
1044 1258 23 0.8913 -84.094
1107 1127 23 0.8558 176.105
1119 1127 23 0.92 -44.026
1038 1040 23 0.8751 -132.079
1040 1177 23 0.8941 -56.063
1040 1258 23 0.8657 -40.068
1107 1119 23 0.7895 220.132
1177 1185 23 0.8846 132.079
1177 1247 23 0.8875 -116.084
1177 1258 23 0.9113 15.995
1073 1075 23 0.9623 44.026
1075 1107 23 0.7637 -58.042
1038 1185 23 0.9058 -56.063
1185 1188 23 0.9101 44.026
1185 1274 23 0.9093 15.995
1038 1188 23 0.8787 -12.036
1042 1188 23 0.923 -56.063
1188 1274 23 0.931 -28.031
1038 1274 23 0.8946 -40.068
1042 1274 23 0.9177 -84.094
1038 1042 23 0.9465 44.026
1042 1056 23 0.8968 88.052
1232 1247 23 0.8738 132.078
1038 1056 23 0.8602 132.078
1073 1107 23 0.9452 -14.016
1247 1258 23 0.9029 132.079
409 434 27 0.9062 -63.995
434 638 27 0.9085 15.995
310 638 27 0.8427 18.010
409 638 27 0.9377 -48.000
214 310 27 0.9134 -33.984
170 310 27 0.8459 15.997
1299 1315 28 0.9044 0.046
1301 1315 28 0.8967 1.049
1312 1315 28 0.8472 -1.003
1315 1316 28 0.8948 -0.997
1337 1357 28 0.9135 0.046
1338 1357 28 0.8246 1.049
1353 1357 28 0.8823 -1.003
1357 1361 28 0.8872 -0.998
1299 1316 28 0.9365 -0.951
1301 1316 28 0.9495 0.052
1312 1316 28 0.8931 -2.000
1316 1338 28 0.8699 -56.115
1316 1361 28 0.8154 -56.063
1299 1301 28 0.9297 -1.003
1299 1312 28 0.9318 1.049
1299 1338 28 0.7829 -57.066
1337 1353 28 0.9138 1.049
1353 1361 28 0.8696 -2.001
1301 1312 28 0.8861 2.052
1337 1338 28 0.8446 -1.003
1337 1361 28 0.9403 -0.952
1301 1338 28 0.8695 -56.063
1301 1361 28 0.7998 -56.011
1338 1361 28 0.874 0.052
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441 803 30 0.9593 -156.010
441 852 30 0.9608 -164.109
441 1137 30 0.9662 -160.208
854 1002 30 0.9648 -134.900
263 748 30 0.963 -28.958
263 1054 30 0.9636 -103.198
861 1007 30 0.959 -77.099
261 348 30 0.9767 15.995
348 456 30 0.9691 27.995
348 1086 30 0.9604 -24.182
1092 1128 30 0.9587 0.000
926 988 30 0.9814 -4.110
926 1052 30 0.9674 23.849
926 1141 30 0.9785 -2.167
926 1551 30 0.9648 -4.110
1002 1128 30 0.9568 -148.037
1128 1395 30 0.9723 -0.387
456 1037 30 0.9689 -38.161
479 1037 30 0.9717 -158.261
814 1037 30 0.9811 -48.188
887 1037 30 0.9799 -31.077
916 1037 30 0.9714 7.875
1037 1052 30 0.9825 0.000
1037 1057 30 0.9795 44.026
1037 1088 30 0.9848 30.010
1037 1112 30 0.9723 15.995
1037 1114 30 0.9727 4.031
57 1045 30 0.9587 230.768
1023 1515 30 0.9626 -1.216
60 61 30 0.9569 -162.053
60 1086 30 0.9565 -240.282
53 1083 30 0.9651 -4.228
1104 1167 30 0.9557 -28.031
261 456 30 0.9704 43.990
261 748 30 0.9589 168.120
261 1086 30 0.9588 -8.187
82 803 30 0.9708 -103.028
775 803 30 0.9624 -14.016
803 961 30 0.96 31.896
803 1039 30 0.9606 -64.220
406 1112 30 0.9714 -190.266
814 1112 30 0.9761 -32.193
852 1112 30 0.971 -84.151
887 1112 30 0.9753 -15.082
1043 1112 30 0.9743 -72.058
1052 1112 30 0.9747 15.995
1057 1112 30 0.9713 -28.032
1088 1112 30 0.9814 -14.016
1112 1114 30 0.9687 -11.963
464 479 30 0.9709 248.069
82 785 30 0.9692 -89.012
785 818 30 0.9633 65.953
785 868 30 0.9607 92.805
785 1002 30 0.9694 -104.036
785 1077 30 0.9603 -10.149
82 775 30 0.9704 -89.012
775 787 30 0.9564 10.932
775 818 30 0.9573 65.953
775 1002 30 0.9639 -104.036
775 1052 30 0.9669 -122.261
787 1137 30 0.9694 -29.146
1057 1137 30 0.976 60.021
868 1049 30 0.9713 -303.118
977 1049 30 0.9704 0.916
1049 1086 30 0.9619 74.036
1049 1246 30 0.9578 219.060
814 1043 30 0.9775 39.865
1043 1114 30 0.9684 -84.021
1003 1045 30 0.9781 -28.031
1003 1262 30 0.968 -27.995
1003 1525 30 0.9605 -252.245
916 923 30 0.9651 -2.006
1007 1070 30 0.9606 1.149
1070 1084 30 0.961 -2.248
386 748 30 0.9611 23.121
456 748 30 0.9639 124.131
683 748 30 0.9779 18.047
748 808 30 0.9589 30.865
748 868 30 0.9691 52.774
748 887 30 0.9745 -131.215
748 916 30 0.9715 -170.166
748 1054 30 0.9849 -74.239
748 1077 30 0.9633 -50.179
456 457 30 0.9652 -368.169
808 852 30 0.9566 -93.011
808 1054 30 0.9639 -105.104
406 1052 30 0.9732 -206.261
814 1052 30 0.9773 -48.188
916 1052 30 0.9767 7.875
1052 1057 30 0.976 44.026
1052 1088 30 0.9844 30.010
1052 1114 30 0.9709 4.031
812 828 30 0.9716 0.000
1167 1290 30 0.9596 -56.062
1167 1515 30 0.9562 -224.250
1007 1084 30 0.9741 -1.099
1054 1084 30 0.9581 -146.094
408 1086 30 0.9622 -204.245
828 1551 30 0.9573 3.974
988 1551 30 0.9599 -0.000
1141 1551 30 0.9706 -1.943
852 1039 30 0.9689 -56.120
852 1077 30 0.9707 11.967
815 1002 30 0.9622 -13.989
406 887 30 0.9763 -175.184
814 887 30 0.9797 -17.111
887 916 30 0.9729 -38.952
887 1002 30 0.9722 -12.852
887 1057 30 0.9776 12.949
887 1088 30 0.9855 -1.067
887 1114 30 0.9705 -27.046
1077 1198 30 0.9595 -76.091
61 63 30 0.9628 -342.116
1497 1515 30 0.9725 0.001
82 88 30 0.9725 -195.056
683 961 30 0.9608 -4.104
456 1086 30 0.9655 -52.177
868 1246 30 0.9687 -84.057
82 1002 30 0.9644 -193.048
406 1002 30 0.9669 -188.036
818 1002 30 0.9649 -169.989
406 1088 30 0.9775 -176.250
479 1088 30 0.9752 -128.251
814 1088 30 0.9812 -18.177
1057 1088 30 0.9804 -14.016
1086 1088 30 0.9869 44.026
1088 1114 30 0.9772 -25.979
817 1525 30 0.9658 -2.294
1045 1525 30 0.9704 -224.214
1262 1525 30 0.9763 -224.250
1007 1054 30 0.9594 144.995
82 787 30 0.9622 -78.080
683 787 30 0.9681 -11.052
787 818 30 0.9638 55.021
787 868 30 0.9577 81.873
406 1114 30 0.965 -202.229
683 1114 30 0.966 -140.214
814 1114 30 0.9756 -44.156
1057 1114 30 0.9708 -39.995
817 1083 30 0.9698 2.896
82 479 30 0.9688 -53.012
82 818 30 0.9623 -23.059
406 814 30 0.9742 -158.073
814 1057 30 0.9768 -4.161
814 1086 30 0.9801 -62.204
1083 1491 30 0.9733 0.860
683 916 30 0.9711 -152.120
818 1039 30 0.9569 -144.188
683 818 30 0.9763 43.969
406 479 30 0.9683 -48.000
406 1057 30 0.97 -162.234
479 1057 30 0.971 -114.235
479 1086 30 0.977 -172.277
988 1141 30 0.985 1.943
868 1262 30 0.9592 -98.073
1045 1262 30 0.9818 0.036
1262 1290 30 0.9732 -28.031
1045 1290 30 0.965 -27.995
1 382 32 0.9348 0.000
1 833 32 0.8496 18.023
382 833 32 0.8456 18.023
1391 1430 33 0.9332 -2.015
1399 1430 33 0.9133 44.026
1412 1430 33 0.9303 12.000
1424 1430 33 0.9318 -14.016
1430 1431 33 0.9215 -26.016
1430 1449 33 0.9526 -14.016
1430 1476 33 0.9489 -28.031
1391 1424 33 0.8913 12.000
1399 1424 33 0.893 58.042
1412 1424 33 0.9125 26.015
1424 1431 33 0.8983 -40.031
1424 1449 33 0.9325 -28.031
1424 1476 33 0.9303 -42.047
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nf_output/networking/merged_pairs.tsv 0000644 0000000 0000000 00007076046 14622715344 017221 0 ustar root root CLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3
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1504 1527 -19.042 0.000 0.7189 0.6811 1
1504 1544 -4.031 0.000 0.8875 0.7412 1
1506 1507 1.004 0.000 0.8188 0.4882 1
1506 1508 48.982 0.000 0.7277 0.3691 1
1506 1513 90.993 0.000 0.7303 0.3393 1
1506 1515 187.996 0.000 0.7089 0.3686 1
1506 1516 -165.117 0.000 0.7418 0.3272 1
1506 1518 -14.125 0.000 0.8982 0.8551 1
1506 1521 -141.118 0.000 0.7170 0.3303 1
1506 1523 76.977 0.000 0.7431 0.3968 1
1506 1525 159.965 0.000 0.7116 0.3322 1
1506 1529 -1.012 0.000 0.7499 0.3791 1
1506 1531 25.004 0.000 0.7307 0.3166 1
1506 1534 -141.117 0.000 0.7223 0.3447 1
1506 1543 -3.028 0.000 0.7443 0.3536 1
1506 1551 239.264 0.000 0.7570 0.2934 1
1507 1510 -290.172 0.000 0.8453 0.4438 1
1507 1513 89.990 0.000 0.9021 0.5291 1
1507 1515 186.993 0.000 0.8904 0.4827 1
1507 1523 75.974 0.000 0.9098 0.5516 1
1507 1526 -167.989 0.000 0.7361 0.3359 1
1507 1529 -2.016 0.000 0.9741 0.7580 1
1507 1531 24.000 0.000 0.9172 0.5964 1
1507 1539 10.023 0.000 0.8040 0.4229 1
1507 1543 -4.031 0.000 0.9718 0.7322 1
1507 1545 -210.036 0.000 0.7362 0.3066 1
1508 1510 -338.151 0.000 0.8278 0.4647 1
1508 1513 42.011 0.000 0.9074 0.5539 1
1508 1515 139.014 0.000 0.9012 0.4831 1
1508 1516 -214.099 0.000 0.8861 0.5503 1
1508 1521 -190.100 0.000 0.9173 0.5916 1
1508 1523 27.995 0.000 0.9289 0.6282 1
1508 1525 110.982 0.000 0.9249 0.6112 1
1508 1526 -215.968 0.000 0.7354 0.3062 1
1508 1529 -49.994 0.000 0.9200 0.5763 1
1508 1531 -23.979 0.000 0.9291 0.6540 1
1508 1532 -229.983 0.000 0.7372 0.2933 1
1508 1534 -190.100 0.000 0.9178 0.5763 1
1508 1539 -37.956 0.000 0.8230 0.4957 1
1508 1543 -52.010 0.000 0.9224 0.6115 1
1508 1546 -249.987 0.000 0.7313 0.3434 1
1508 1551 190.281 0.000 0.9061 0.5018 1
1509 1511 17.026 0.000 0.9600 0.6414 1
1510 1511 21.982 0.000 0.8182 0.5604 1
1510 1515 477.165 0.000 0.8171 0.4831 1
1510 1521 148.051 0.000 0.8360 0.4242 1
1510 1523 366.146 0.000 0.8375 0.4835 1
1510 1529 288.157 0.000 0.8485 0.4346 1
1510 1531 314.172 0.000 0.8360 0.4242 1
1510 1534 148.051 0.000 0.8364 0.4235 1
1510 1539 300.195 0.000 0.7387 0.4390 1
1510 1543 286.141 0.000 0.8412 0.4242 1
1513 1515 97.003 0.000 0.8917 0.4868 1
1513 1516 -256.110 0.000 0.8893 0.5279 1
1513 1521 -232.111 0.000 0.9048 0.5279 1
1513 1523 -14.016 0.000 0.9201 0.5662 1
1513 1525 68.971 0.000 0.9150 0.6241 1
1513 1526 -257.979 0.000 0.7264 0.2824 1
1513 1529 -92.005 0.000 0.9126 0.5557 1
1513 1531 -65.990 0.000 0.9184 0.5670 1
1513 1532 -271.994 0.000 0.7336 0.2834 1
1513 1534 -232.111 0.000 0.9063 0.5279 1
1513 1539 -79.967 0.000 0.8258 0.5137 1
1513 1543 -94.021 0.000 0.9123 0.5543 1
1513 1545 -300.026 0.000 0.7413 0.2999 1
1514 1516 -4.142 0.000 0.8175 0.6052 1
1514 1521 19.857 0.000 0.7060 0.4722 1
1514 1526 -6.010 0.000 0.8788 0.6348 1
1514 1532 -20.026 0.000 0.8782 0.6212 1
1514 1543 157.947 0.000 0.7038 0.3771 1
1514 1545 -48.058 0.000 0.8593 0.6298 1
1515 1521 -329.114 0.000 0.8963 0.5032 1
1515 1523 -111.019 0.000 0.9115 0.5006 1
1515 1525 -28.032 0.000 0.9399 0.6677 1
1515 1526 -354.982 0.000 0.7240 0.2878 1
1515 1531 -162.993 0.000 0.9040 0.5032 1
1515 1532 -368.997 0.000 0.7298 0.2791 1
1515 1539 -176.970 0.000 0.8012 0.4509 1
1515 1545 -397.029 0.000 0.7287 0.3170 1
1515 1551 51.267 0.000 0.9033 0.4760 1
1516 1521 23.999 0.000 0.9130 0.6702 1
1516 1523 242.094 0.000 0.8984 0.5801 1
1516 1525 325.082 0.000 0.8838 0.5528 1
1516 1526 -1.868 0.000 0.8344 0.5018 1
1516 1529 164.105 0.000 0.8981 0.5795 1
1516 1531 190.121 0.000 0.9078 0.6202 1
1516 1532 -15.883 0.000 0.7965 0.4234 1
1516 1534 24.000 0.000 0.9124 0.6415 1
1516 1539 176.143 0.000 0.8144 0.4572 1
1516 1543 162.089 0.000 0.8958 0.5528 1
1516 1545 -43.915 0.000 0.8086 0.4285 1
1516 1546 -35.887 0.000 0.7163 0.3261 1
1521 1523 218.095 0.000 0.9201 0.6130 1
1521 1525 301.082 0.000 0.9187 0.6317 1
1521 1526 -25.867 0.000 0.7353 0.3390 1
1521 1529 140.106 0.000 0.9357 0.6928 1
1521 1531 166.121 0.000 0.9274 0.6437 1
1521 1532 -39.883 0.000 0.7532 0.3520 1
1521 1534 0.000 0.000 0.9862 0.8306 1
1521 1539 152.144 0.000 0.8087 0.4386 1
1521 1543 138.090 0.000 0.9317 0.6502 1
1521 1546 -59.886 0.000 0.7404 0.3563 1
1523 1525 82.987 0.000 0.9283 0.6236 1
1523 1526 -243.963 0.000 0.7388 0.2931 1
1523 1529 -77.989 0.000 0.9233 0.5974 1
1523 1531 -51.974 0.000 0.9284 0.5978 1
1523 1532 -257.978 0.000 0.7478 0.3062 1
1523 1534 -218.095 0.000 0.9224 0.5978 1
1523 1539 -65.951 0.000 0.8273 0.5170 1
1523 1543 -80.005 0.000 0.9238 0.6113 1
1523 1545 -286.010 0.000 0.7846 0.4211 1
1523 1546 -277.982 0.000 0.7417 0.3576 1
1525 1526 -326.950 0.000 0.7293 0.2749 1
1525 1529 -160.977 0.000 0.9218 0.6117 1
1525 1531 -134.961 0.000 0.9247 0.6392 1
1525 1534 -301.082 0.000 0.9176 0.5971 1
1525 1543 -162.992 0.000 0.9187 0.5971 1
1525 1545 -368.997 0.000 0.7388 0.3147 1
1525 1546 -360.969 0.000 0.7276 0.3147 1
1526 1531 191.989 0.000 0.7360 0.2893 1
1526 1532 -14.015 0.000 0.9401 0.7657 1
1526 1534 25.868 0.000 0.7318 0.2738 1
1526 1543 163.958 0.000 0.7292 0.2711 1
1526 1545 -42.047 0.000 0.9119 0.7033 1
1526 1551 406.249 0.000 0.7546 0.3126 1
1527 1528 -2.007 0.000 0.7632 0.6642 1
1527 1530 26.016 0.000 0.9161 0.8491 1
1527 1542 -2.016 0.000 0.9053 0.8229 1
1528 1530 28.023 0.000 0.7353 0.6356 1
1528 1542 -0.009 0.000 0.7592 0.6475 1
1528 1544 17.018 0.000 0.7864 0.7066 1
1529 1531 26.016 0.000 0.9327 0.6780 1
1529 1534 -140.105 0.000 0.9325 0.6648 1
1529 1539 12.038 0.000 0.8131 0.4423 1
1529 1543 -2.016 0.000 0.9850 0.8231 1
1529 1546 -199.992 0.000 0.7422 0.3393 1
1530 1542 -28.031 0.000 0.9457 0.8619 1
1530 1544 -11.005 0.000 0.7473 0.7296 1
1531 1534 -166.121 0.000 0.9312 0.6396 1
1531 1539 -13.977 0.000 0.8257 0.4398 1
1531 1543 -28.031 0.000 0.9330 0.6756 1
1532 1534 39.883 0.000 0.7470 0.2824 1
1532 1543 177.973 0.000 0.7411 0.2932 1
1532 1545 -28.032 0.000 0.9307 0.7764 1
1532 1546 -20.004 0.000 0.7026 0.5140 1
1532 1551 420.264 0.000 0.7409 0.2746 1
1534 1539 152.144 0.000 0.8111 0.4699 1
1534 1543 138.090 0.000 0.9274 0.6344 1
1534 1546 -59.887 0.000 0.7445 0.3809 1
1539 1543 -14.054 0.000 0.8199 0.4754 1
1539 1551 228.237 0.000 0.8208 0.3937 1
1542 1544 17.027 0.000 0.8783 0.8172 1
1543 1545 -206.005 0.000 0.7446 0.3018 1
1545 1551 448.296 0.000 0.7699 0.3241 1
1546 1551 440.268 0.000 0.7340 0.3150 1
nf_output/networking/clustersummary_with_network.tsv 0000644 0000000 0000000 00002322005 14622716052 022440 0 ustar root root cluster index parent mass RTMean ATTRIBUTE_GENUS:GNPSGROUP:Actinoallomurus ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0479 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0227 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0217 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0034 ATTRIBUTE_DTU_ID:GNPSGROUP:NAIC_0008 ATTRIBUTE_M_SERIES_ID:GNPSGROUP:nan ATTRIBUTE_M_SERIES_ID:GNPSGROUP:M2 ATTRIBUTE_M_SERIES_ID:GNPSGROUP:M41 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145113.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145808.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:145823.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:150184.0 ATTRIBUTE_STRAIN_ID:GNPSGROUP:150223.0 ATTRIBUTE_MEDIUM:GNPSGROUP:RARE4_M8acid ATTRIBUTE_MEDIUM:GNPSGROUP:RARE5_AFAacid ATTRIBUTE_PHYLOTYPE:GNPSGROUP:partial ATTRIBUTE_PHYLOTYPE:GNPSGROUP:alp42 ATTRIBUTE_PHYLOTYPE:GNPSGROUP:alp16 ATTRIBUTE_GENOME:GNPSGROUP:ok ATTRIBUTE_EXTRACTION:GNPSGROUP:FE ATTRIBUTE_SAMPLE:GNPSGROUP:58352.0 ATTRIBUTE_SAMPLE:GNPSGROUP:84625.0 ATTRIBUTE_SAMPLE:GNPSGROUP:48226.0 ATTRIBUTE_SAMPLE:GNPSGROUP:46585.0 ATTRIBUTE_SAMPLE:GNPSGROUP:47090.0 ATTRIBUTE_SAMPLE:GNPSGROUP:82989.0 ATTRIBUTE_SAMPLE:GNPSGROUP:84624.0 ATTRIBUTE_SAMPLE:GNPSGROUP:82438.0 ATTRIBUTE_SAMPLE:GNPSGROUP:63361.0 ATTRIBUTE_SAMPLE:GNPSGROUP:63380.0 ATTRIBUTE_RUN:GNPSGROUP:52.0 ATTRIBUTE_RUN:GNPSGROUP:99.0 ATTRIBUTE_RUN:GNPSGROUP:34.0 ATTRIBUTE_RUN:GNPSGROUP:31.0 ATTRIBUTE_RUN:GNPSGROUP:32.0 ATTRIBUTE_RUN:GNPSGROUP:96.0 ATTRIBUTE_RUN:GNPSGROUP:95.0 ATTRIBUTE_RUN:GNPSGROUP:61.0 ATTRIBUTE_PLATE:GNPSGROUP:658.0 ATTRIBUTE_PLATE:GNPSGROUP:987.0 ATTRIBUTE_PLATE:GNPSGROUP:532.0 ATTRIBUTE_PLATE:GNPSGROUP:511.0 ATTRIBUTE_PLATE:GNPSGROUP:518.0 ATTRIBUTE_PLATE:GNPSGROUP:966.0 ATTRIBUTE_PLATE:GNPSGROUP:959.0 ATTRIBUTE_PLATE:GNPSGROUP:721.0 ATTRIBUTE_WELL:GNPSGROUP:H2 ATTRIBUTE_WELL:GNPSGROUP:C5 ATTRIBUTE_WELL:GNPSGROUP:C6 ATTRIBUTE_WELL:GNPSGROUP:G5 ATTRIBUTE_WELL:GNPSGROUP:A10 ATTRIBUTE_WELL:GNPSGROUP:G9 ATTRIBUTE_WELL:GNPSGROUP:C4 ATTRIBUTE_WELL:GNPSGROUP:H8 ATTRIBUTE_WELL:GNPSGROUP:E1 ATTRIBUTE_WELL:GNPSGROUP:F10 ATTRIBUTE_ACTIVITY:GNPSGROUP:SA_EC ATTRIBUTE_ACTIVITY:GNPSGROUP:N ATTRIBUTE_ACTIVITY:GNPSGROUP:SA ATTRIBUTE_HALO_TYPE_SA:GNPSGROUP:inhibition ATTRIBUTE_HALO_TYPE_SA:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:10 ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:17_+_6_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:11 ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:12_+_5_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_SA:GNPSGROUP:17_+_5_growth_retard ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:inhibition ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:nan ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:growth_retard ATTRIBUTE_HALO_TYPE_EC:GNPSGROUP:unclear_growth_retard ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:5.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:nan ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:6.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:4.0 ATTRIBUTE_HALO_DIMENSION_mm_EC:GNPSGROUP:7.0 component #Scan# Compound_Name
1 201.00829100629187 0.0032133288 55668.43000000001 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 111336.86000000002 0.0 0.0 278342.15 0.0 55668.43000000001 55668.43000000001 0.0 556684.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 278342.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 556684.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185561.43333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32
2 232.9801189329488 0.0032133288 9967.154 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 19934.308 0.0 0.0 49835.77 0.0 9967.154 9967.154 0.0 99671.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49835.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99671.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33223.846666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182
3 186.95626463753413 0.023923583 29866.9216 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 35041.990000000005 24691.8532 0.0 149334.608 0.0 29866.9216 29866.9216 0.0 175209.95 0.0 0.0 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149334.608 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175209.95 0.0 0.0 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 58403.31666666667 41153.08866666667 17637.038 0.0 0.0 123459.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
4 217.9566509494626 0.031533178 9769.715 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 19539.43 0.0 0.0 48848.575 0.0 9769.715 9769.715 0.0 97697.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48848.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97697.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32565.716666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182
5 1628.2068458537244 0.55398566 19097.612 0.0 0.0 0.0 95488.06 0.0 95488.06 0.0 0.0 0.0 0.0 95488.06 0.0 38195.224 0.0 31829.353333333333 0.0 0.0 19097.612 19097.612 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190976.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63658.706666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65
6 1736.2432071537512 0.55398566 17146.017 0.0 0.0 0.0 85730.085 0.0 85730.085 0.0 0.0 0.0 0.0 85730.085 0.0 34292.034 0.0 28576.695000000003 0.0 0.0 17146.017 17146.017 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171460.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57153.39000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65
7 310.15225927006173 0.5681249 88852.43000000001 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 177704.86000000002 0.0 0.0 444262.15 0.0 88852.43000000001 88852.43000000001 0.0 888524.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444262.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 888524.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296174.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
8 319.8033880522165 0.5681249 25221.525 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 50443.05 0.0 0.0 126107.625 0.0 25221.525 25221.525 0.0 252215.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126107.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 252215.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84071.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
9 464.7248308196159 0.5681249 42343.522 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 84687.044 0.0 0.0 211717.61 0.0 42343.522 42343.522 0.0 423435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211717.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141145.07333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
10 1387.9641785619351 0.58549815 23524.534 0.0 0.0 0.0 117622.67 0.0 117622.67 0.0 0.0 0.0 0.0 117622.67 0.0 47049.068 0.0 39207.55666666666 0.0 0.0 23524.534 23524.534 0.0 0.0 0.0 235245.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235245.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235245.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235245.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78415.11333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65
11 1468.9893834908717 0.58549815 26014.189 0.0 0.0 0.0 130070.945 0.0 130070.945 0.0 0.0 0.0 0.0 130070.945 0.0 52028.378 0.0 43356.98166666667 0.0 0.0 26014.189 26014.189 0.0 0.0 0.0 260141.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260141.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260141.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260141.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86713.96333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65
12 1631.0419636984402 0.58549815 22809.488 0.0 0.0 0.0 114047.44 0.0 114047.44 0.0 0.0 0.0 0.0 114047.44 0.0 45618.976 0.0 38015.81333333333 0.0 0.0 22809.488 22809.488 0.0 0.0 0.0 228094.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228094.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228094.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228094.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76031.62666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65
14 271.91644659856 0.59963745 37100.575 0.0 185502.875 0.0 0.0 0.0 0.0 0.0 0.0 185502.875 0.0 0.0 0.0 74201.15 0.0 0.0 185502.875 0.0 37100.575 37100.575 0.0 371005.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185502.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185502.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 371005.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123668.58333333331 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
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75 234.01960666159184 0.7250584 356070.75 0.0 1780353.75 0.0 0.0 0.0 0.0 0.0 0.0 1780353.75 0.0 0.0 0.0 0.0 712141.5 0.0 1780353.75 0.0 356070.75 356070.75 0.0 0.0 0.0 0.0 0.0 0.0 3560707.5 0.0 0.0 0.0 0.0 1780353.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1780353.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3560707.5 0.0 0.0 0.0 0.0 0.0 1186902.5 508672.5 0.0 0.0 3560707.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
68 159.0763702954633 0.7321727 687782.132 0.0 1638340.16 0.0 1800570.5 0.0 1800570.5 0.0 0.0 1638340.16 0.0 1800570.5 0.0 1290995.04 84569.224 600190.1666666666 1638340.16 0.0 687782.132 687782.132 0.0 2853834.2 0.0 3601141.0 0.0 0.0 422846.12 0.0 0.0 0.0 0.0 1638340.16 0.0 3601141.0 0.0 0.0 0.0 0.0 0.0 1638340.16 0.0 3601141.0 0.0 0.0 0.0 0.0 0.0 2853834.2 0.0 3601141.0 0.0 0.0 422846.12 0.0 0.0 0.0 0.0 2151658.4 140948.7066666667 60406.58857142857 0.0 0.0 422846.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200 68.0 Spectral Match to L-Arginine from NIST14
69 403.19326158684106 0.7346681 317465.58 0.0 1587327.9 0.0 0.0 0.0 0.0 0.0 0.0 1587327.9 0.0 0.0 0.0 634931.1599999999 0.0 0.0 1587327.9 0.0 317465.58 317465.58 0.0 3174655.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1587327.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1587327.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3174655.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1058218.6 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 -1
70 209.1032579709152 0.73572993 174879.51499999998 0.0 511203.7 0.0 363193.875 0.0 363193.875 0.0 0.0 511203.7 0.0 363193.875 0.0 349759.03 0.0 121064.625 511203.7 0.0 174879.51499999998 174879.51499999998 0.0 1022407.4 0.0 726387.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 511203.7 0.0 726387.75 0.0 0.0 0.0 0.0 0.0 511203.7 0.0 726387.75 0.0 0.0 0.0 0.0 0.0 1022407.4 0.0 726387.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 582931.7166666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40
71 462.1816543270796 0.73572993 243927.928 0.0 1025451.7 0.0 194187.94 0.0 194187.94 0.0 0.0 1025451.7 0.0 194187.94 0.0 487855.856 0.0 64729.31333333333 1025451.7 0.0 243927.928 243927.928 0.0 2050903.4 0.0 388375.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1025451.7 0.0 388375.88 0.0 0.0 0.0 0.0 0.0 1025451.7 0.0 388375.88 0.0 0.0 0.0 0.0 0.0 2050903.4 0.0 388375.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 813093.0933333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94
72 652.2288117525029 0.73572993 406387.147 0.0 87912.635 0.0 1944023.1 0.0 1944023.1 0.0 0.0 87912.635 0.0 1944023.1 0.0 812774.294 0.0 648007.7000000001 87912.635 0.0 406387.147 406387.147 0.0 175825.27 0.0 3888046.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87912.635 0.0 3888046.2 0.0 0.0 0.0 0.0 0.0 87912.635 0.0 3888046.2 0.0 0.0 0.0 0.0 0.0 175825.27 0.0 3888046.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1354623.8233333337 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94
73 560.1615885403793 0.73887897 450640.933 0.0 2144642.025 0.0 108562.64 0.0 108562.64 0.0 0.0 2144642.025 0.0 108562.64 0.0 92830.25 808451.6159999999 36187.54666666667 2144642.025 0.0 450640.933 450640.933 0.0 464151.25 0.0 0.0 0.0 0.0 3825132.8 0.0 217125.28 0.0 0.0 2144642.025 0.0 0.0 0.0 0.0 0.0 108562.64 0.0 2144642.025 0.0 0.0 0.0 0.0 0.0 108562.64 0.0 464151.25 0.0 0.0 0.0 0.0 3825132.8 0.0 217125.28 0.0 0.0 227092.17666666667 1275044.2666666666 546447.5428571429 0.0 0.0 3825132.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125
74 193.1546196761997 0.7396825 20618.261 0.0 0.0 103091.305 0.0 0.0 0.0 0.0 0.0 0.0 103091.305 0.0 0.0 41236.522 0.0 0.0 0.0 103091.305 20618.261 20618.261 0.0 0.0 206182.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206182.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206182.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206182.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51545.6525 0.0 0.0 29454.65857142857 0.0 206182.61 0.0 0.0 0.0 0.0 206182.61 0.0 0.0 206182.61 0.0 0.0 7
82 218.04566673754377 0.7398956 935562.0 0.0 4677810.0 0.0 0.0 0.0 0.0 0.0 0.0 4677810.0 0.0 0.0 0.0 0.0 1871124.0 0.0 4677810.0 0.0 935562.0 935562.0 0.0 0.0 0.0 0.0 0.0 0.0 9355620.0 0.0 0.0 0.0 0.0 4677810.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4677810.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9355620.0 0.0 0.0 0.0 0.0 0.0 3118540.0 1336517.142857143 0.0 0.0 9355620.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
88 413.1019208413829 0.7398956 529221.15 0.0 2646105.75 0.0 0.0 0.0 0.0 0.0 0.0 2646105.75 0.0 0.0 0.0 0.0 1058442.3 0.0 2646105.75 0.0 529221.15 529221.15 0.0 0.0 0.0 0.0 0.0 0.0 5292211.5 0.0 0.0 0.0 0.0 2646105.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2646105.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5292211.5 0.0 0.0 0.0 0.0 0.0 1764070.5 756030.2142857143 0.0 0.0 5292211.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
76 162.11246580963436 0.7404115 129724.347 0.0 0.0 158215.11 402604.15 87802.475 402604.15 87802.475 0.0 0.0 158215.11 402604.15 87802.475 259448.694 0.0 163468.875 0.0 158215.11 129724.347 129724.347 0.0 0.0 316430.22 805208.3 175604.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316430.22 805208.3 175604.95 0.0 0.0 0.0 0.0 0.0 316430.22 805208.3 175604.95 0.0 0.0 0.0 0.0 0.0 316430.22 805208.3 175604.95 0.0 0.0 0.0 0.0 0.0 123008.7925 268402.76666666666 0.0 70290.73857142856 58534.98333333334 316430.22 0.0 0.0 0.0 0.0 316430.22 175604.95 0.0 316430.22 175604.95 0.0 -1
77 490.1764049918749 0.7420632 1018459.5600000002 0.0 4199356.9 0.0 892940.9 0.0 892940.9 0.0 0.0 4199356.9 0.0 892940.9 0.0 1875040.26 161878.86000000002 297646.9666666667 4199356.9 0.0 1018459.5600000002 1018459.5600000002 0.0 7589319.5 0.0 1785881.8 0.0 0.0 809394.3 0.0 0.0 0.0 0.0 4199356.9 0.0 1785881.8 0.0 0.0 0.0 0.0 0.0 4199356.9 0.0 1785881.8 0.0 0.0 0.0 0.0 0.0 7589319.5 0.0 1785881.8 0.0 0.0 809394.3 0.0 0.0 0.0 0.0 3125067.1 269798.10000000003 115627.75714285715 0.0 0.0 809394.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94
78 258.14471627211987 0.7431465 189510.04 0.0 191725.2 0.0 755825.0 0.0 755825.0 0.0 0.0 191725.2 0.0 755825.0 0.0 379020.08 0.0 251941.66666666663 191725.2 0.0 189510.04 189510.04 0.0 383450.4 0.0 1511650.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191725.2 0.0 1511650.0 0.0 0.0 0.0 0.0 0.0 191725.2 0.0 1511650.0 0.0 0.0 0.0 0.0 0.0 383450.4 0.0 1511650.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 631700.1333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 78.0 Lys-C7:0
79 476.1607052665689 0.7431465 181967.363 0.0 810881.55 0.0 98955.265 0.0 98955.265 0.0 0.0 810881.55 0.0 98955.265 0.0 363934.726 0.0 32985.08833333333 810881.55 0.0 181967.363 181967.363 0.0 1621763.1 0.0 197910.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 810881.55 0.0 197910.53 0.0 0.0 0.0 0.0 0.0 810881.55 0.0 197910.53 0.0 0.0 0.0 0.0 0.0 1621763.1 0.0 197910.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 606557.8766666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94
80 814.2822970547857 0.74314904 133011.852 0.0 89964.56 0.0 575094.7 0.0 575094.7 0.0 0.0 89964.56 0.0 575094.7 0.0 266023.704 0.0 191698.2333333333 89964.56 0.0 133011.852 133011.852 0.0 179929.12 0.0 1150189.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89964.56 0.0 1150189.4 0.0 0.0 0.0 0.0 0.0 89964.56 0.0 1150189.4 0.0 0.0 0.0 0.0 0.0 179929.12 0.0 1150189.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 443372.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
81 176.1028810789278 0.74547714 1268348.367 0.0 4257124.9 75749.835 2008867.1 0.0 2008867.1 0.0 0.0 4257124.9 75749.835 2008867.1 0.0 2330090.4740000004 206606.26 669622.3666666667 4257124.9 75749.835 1268348.367 1268348.367 0.0 7481218.5 151499.67 4017734.2 0.0 0.0 1033031.3 0.0 0.0 0.0 0.0 4257124.9 151499.67 4017734.2 0.0 0.0 0.0 0.0 0.0 4257124.9 151499.67 4017734.2 0.0 0.0 0.0 0.0 0.0 7481218.5 151499.67 4017734.2 0.0 0.0 1033031.3 0.0 0.0 0.0 37874.9175 3832984.233333333 344343.76666666666 169218.71 0.0 151499.67 1033031.3 0.0 0.0 0.0 151499.67 0.0 0.0 151499.67 0.0 0.0 200 81.0 Spectral Match to L-Citrulline from NIST14
83 235.1651571375395 0.7514415 312562.496 122607.57 869063.4500000001 268881.375 228492.11 73767.975 228492.11 73767.975 122607.57 869063.4500000001 268881.375 228492.11 73767.975 472539.542 152585.45 141622.55166666667 869063.4500000001 268881.375 312562.496 312562.496 245215.14 1122735.6 537762.75 456984.22 0.0 0.0 615391.3 0.0 0.0 147535.95 245215.14 869063.4500000001 537762.75 456984.22 0.0 0.0 0.0 73767.975 245215.14 869063.4500000001 537762.75 456984.22 0.0 0.0 0.0 73767.975 245215.14 1122735.6 537762.75 456984.22 0.0 0.0 615391.3 0.0 0.0 147535.95 195744.4725 526573.2733333333 254309.0833333333 220843.59142857144 81738.38 537762.75 615391.3 0.0 147535.95 122607.57 537762.75 0.0 245215.14 537762.75 0.0 0.0 7
84 166.0532055483838 0.7516249 143475.99 0.0 0.0 0.0 717379.95 0.0 717379.95 0.0 0.0 0.0 0.0 717379.95 0.0 286951.98 0.0 239126.65 0.0 0.0 143475.99 143475.99 0.0 0.0 0.0 1434759.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1434759.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1434759.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1434759.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 478253.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 84.0 L-methionine sulfoxide
85 341.1374067557699 0.7547382 195529.81 0.0 977649.05 0.0 0.0 0.0 0.0 0.0 0.0 977649.05 0.0 0.0 0.0 0.0 391059.62 0.0 977649.05 0.0 195529.81 195529.81 0.0 0.0 0.0 0.0 0.0 0.0 1955298.1 0.0 0.0 0.0 0.0 977649.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 977649.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1955298.1 0.0 0.0 0.0 0.0 0.0 651766.0333333333 279328.3 0.0 0.0 1955298.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71
92 608.1582482346481 0.7547382 631967.1 0.0 3159835.5 0.0 0.0 0.0 0.0 0.0 0.0 3159835.5 0.0 0.0 0.0 0.0 1263934.2 0.0 3159835.5 0.0 631967.1 631967.1 0.0 0.0 0.0 0.0 0.0 0.0 6319671.0 0.0 0.0 0.0 0.0 3159835.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3159835.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6319671.0 0.0 0.0 0.0 0.0 0.0 2106557.0 902810.1428571428 0.0 0.0 6319671.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125
98 803.2150403256699 0.7547382 280428.7 0.0 1402143.5 0.0 0.0 0.0 0.0 0.0 0.0 1402143.5 0.0 0.0 0.0 0.0 560857.4 0.0 1402143.5 0.0 280428.7 280428.7 0.0 0.0 0.0 0.0 0.0 0.0 2804287.0 0.0 0.0 0.0 0.0 1402143.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1402143.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2804287.0 0.0 0.0 0.0 0.0 0.0 934762.3333333334 400612.4285714286 0.0 0.0 2804287.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
86 1145.3322817477165 0.7547382 77173.894 0.0 385869.47 0.0 0.0 0.0 0.0 0.0 0.0 385869.47 0.0 0.0 0.0 0.0 154347.788 0.0 385869.47 0.0 77173.894 77173.894 0.0 0.0 0.0 0.0 0.0 0.0 771738.94 0.0 0.0 0.0 0.0 385869.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 385869.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 771738.94 0.0 0.0 0.0 0.0 0.0 257246.31333333327 110248.42 0.0 0.0 771738.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
89 285.1113395912287 0.7599778 63621.863 0.0 0.0 0.0 237333.43 80775.885 237333.43 80775.885 0.0 0.0 0.0 237333.43 80775.885 54706.176 72537.55 106036.43833333334 0.0 0.0 63621.863 63621.863 0.0 0.0 0.0 273530.88 0.0 0.0 0.0 0.0 201135.98 161551.77 0.0 0.0 0.0 273530.88 0.0 0.0 0.0 181343.875 0.0 0.0 0.0 273530.88 0.0 0.0 0.0 181343.875 0.0 0.0 0.0 273530.88 0.0 0.0 0.0 0.0 201135.98 161551.77 0.0 158222.28666666665 53850.59 23078.824285714283 0.0 0.0 0.0 0.0 161551.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76
90 429.0760057502716 0.7604613 142577.854 0.0 475395.6 0.0 119019.615 118474.055 119019.615 118474.055 0.0 475395.6 0.0 119019.615 118474.055 0.0 285155.708 79164.55666666666 475395.6 0.0 142577.854 142577.854 0.0 0.0 0.0 0.0 0.0 0.0 950791.2 0.0 238039.23 236948.11 0.0 475395.6 0.0 0.0 0.0 0.0 0.0 237493.67 0.0 475395.6 0.0 0.0 0.0 0.0 0.0 237493.67 0.0 0.0 0.0 0.0 0.0 0.0 950791.2 0.0 238039.23 236948.11 0.0 79346.41 395913.1033333333 169677.0442857143 0.0 0.0 950791.2 0.0 236948.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
91 299.12692706457045 0.76143724 114596.38700000002 378805.375 69913.905 0.0 124262.655 0.0 124262.655 0.0 378805.375 69913.905 0.0 124262.655 0.0 0.0 229192.77400000003 167689.34333333335 69913.905 0.0 114596.38700000002 114596.38700000002 0.0 0.0 0.0 0.0 0.0 757610.75 139827.81 0.0 248525.31 0.0 0.0 69913.905 0.0 0.0 0.0 757610.75 0.0 124262.655 0.0 69913.905 0.0 0.0 0.0 757610.75 0.0 124262.655 0.0 0.0 0.0 0.0 0.0 757610.75 139827.81 0.0 248525.31 0.0 189402.6875 82841.77 46609.27 128205.50857142858 252536.91666666663 0.0 139827.81 0.0 0.0 378805.375 0.0 0.0 0.0 0.0 0.0 757610.75 -1
95 343.116694704981 0.7621571 3226725.88 480305.7 11067704.75 402440.05 3597633.45 585545.45 3597633.45 585545.45 480305.7 11067704.75 402440.05 3597633.45 585545.45 2108819.1 4344632.66 1554494.8666666665 11067704.75 402440.05 3226725.88 3226725.88 0.0 4430941.5 0.0 6113154.0 0.0 960611.4 17704468.0 804880.1 1082112.9 1171090.9 0.0 11067704.75 0.0 6113154.0 0.0 960611.4 804880.1 1126601.9 0.0 11067704.75 0.0 6113154.0 0.0 960611.4 804880.1 1126601.9 0.0 4430941.5 0.0 6113154.0 0.0 960611.4 17704468.0 804880.1 1082112.9 1171090.9 240152.85 3875402.8 6560146.333333333 2948721.4857142856 320203.8 0.0 17704468.0 804880.1 1171090.9 480305.7 0.0 0.0 0.0 0.0 0.0 960611.4 -1
93 277.10282276974743 0.76433474 77567.4 0.0 387837.0 0.0 0.0 0.0 0.0 0.0 0.0 387837.0 0.0 0.0 0.0 155134.8 0.0 0.0 387837.0 0.0 77567.4 77567.4 0.0 775674.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 387837.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 387837.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 775674.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 258558.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 93.0 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14
94 685.2386098585166 0.76433474 85130.12 0.0 425650.6 0.0 0.0 0.0 0.0 0.0 0.0 425650.6 0.0 0.0 0.0 170260.24 0.0 0.0 425650.6 0.0 85130.12 85130.12 0.0 851301.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 425650.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 425650.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 851301.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 283767.06666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69 94.0 Stachyose CollisionEnergy:102040
112 393.1143874978852 0.76958865 302632.85 0.0 1513164.25 0.0 0.0 0.0 0.0 0.0 0.0 1513164.25 0.0 0.0 0.0 0.0 605265.7 0.0 1513164.25 0.0 302632.85 302632.85 0.0 0.0 0.0 0.0 0.0 0.0 3026328.5 0.0 0.0 0.0 0.0 1513164.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1513164.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3026328.5 0.0 0.0 0.0 0.0 0.0 1008776.1666666666 432332.6428571429 0.0 0.0 3026328.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
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99 283.13593671870706 0.77662134 29494.878000000004 0.0 0.0 0.0 147474.39 0.0 147474.39 0.0 0.0 0.0 0.0 147474.39 0.0 24603.424 34386.332 49158.130000000005 0.0 0.0 29494.878000000004 29494.878000000004 0.0 0.0 0.0 123017.12 0.0 0.0 0.0 0.0 171931.66 0.0 0.0 0.0 0.0 123017.12 0.0 0.0 0.0 85965.83 0.0 0.0 0.0 123017.12 0.0 0.0 0.0 85965.83 0.0 0.0 0.0 123017.12 0.0 0.0 0.0 0.0 171931.66 0.0 0.0 98316.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71
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109 586.1762926546883 0.7844542 836203.85 0.0 4181019.25 0.0 0.0 0.0 0.0 0.0 0.0 4181019.25 0.0 0.0 0.0 0.0 1672407.7 0.0 4181019.25 0.0 836203.85 836203.85 0.0 0.0 0.0 0.0 0.0 0.0 8362038.5 0.0 0.0 0.0 0.0 4181019.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4181019.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8362038.5 0.0 0.0 0.0 0.0 0.0 2787346.1666666665 1194576.9285714286 0.0 0.0 8362038.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76
105 928.2855023249708 0.7844542 59463.525 0.0 297317.625 0.0 0.0 0.0 0.0 0.0 0.0 297317.625 0.0 0.0 0.0 0.0 118927.05 0.0 297317.625 0.0 59463.525 59463.525 0.0 0.0 0.0 0.0 0.0 0.0 594635.25 0.0 0.0 0.0 0.0 297317.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 297317.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 594635.25 0.0 0.0 0.0 0.0 0.0 198211.75 84947.89285714286 0.0 0.0 594635.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173
106 331.1180550325108 0.78507656 50972.234 0.0 156083.85 0.0 98777.32 0.0 98777.32 0.0 0.0 156083.85 0.0 98777.32 0.0 0.0 101944.468 32925.77333333334 156083.85 0.0 50972.234 50972.234 0.0 0.0 0.0 0.0 0.0 0.0 312167.7 0.0 197554.64 0.0 0.0 156083.85 0.0 0.0 0.0 0.0 0.0 98777.32 0.0 156083.85 0.0 0.0 0.0 0.0 0.0 98777.32 0.0 0.0 0.0 0.0 0.0 0.0 312167.7 0.0 197554.64 0.0 0.0 65851.54666666668 104055.9 44595.38571428572 0.0 0.0 312167.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164 106.0 ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE - 20.0 eV
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118 252.1088475879268 0.8015578 86671.101 107585.595 86449.2 0.0 156673.31 82647.4 156673.31 82647.4 107585.595 86449.2 0.0 156673.31 82647.4 97249.004 76093.198 115635.435 86449.2 0.0 86671.101 86671.101 0.0 172898.4 0.0 313346.62 0.0 215171.19 0.0 0.0 0.0 165294.8 0.0 86449.2 0.0 313346.62 0.0 215171.19 0.0 82647.4 0.0 86449.2 0.0 313346.62 0.0 215171.19 0.0 82647.4 0.0 172898.4 0.0 313346.62 0.0 215171.19 0.0 0.0 0.0 165294.8 53792.7975 162081.67333333334 55098.26666666666 54352.28428571428 71723.73 0.0 0.0 0.0 165294.8 107585.595 0.0 0.0 0.0 0.0 0.0 215171.19 164 118.0 2'-deoxyadenosine CollisionEnergy:205060
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123 345.1133249774667 0.8102482 113436.29200000002 88023.665 308654.125 0.0 0.0 170503.67 0.0 170503.67 88023.665 308654.125 0.0 0.0 170503.67 0.0 226872.584 86175.77833333334 308654.125 0.0 113436.29200000002 113436.29200000002 0.0 0.0 0.0 0.0 0.0 176047.33 617308.25 0.0 0.0 341007.34 0.0 308654.125 0.0 0.0 0.0 176047.33 0.0 170503.67 0.0 308654.125 0.0 0.0 0.0 176047.33 0.0 170503.67 0.0 0.0 0.0 0.0 0.0 176047.33 617308.25 0.0 0.0 341007.34 44011.8325 0.0 319438.53 162051.8457142857 58682.44333333333 0.0 617308.25 0.0 341007.34 88023.665 0.0 0.0 0.0 0.0 0.0 176047.33 76
124 280.13892585932376 0.81034815 144277.138 0.0 169259.14 0.0 552126.55 0.0 552126.55 0.0 0.0 169259.14 0.0 552126.55 0.0 288554.276 0.0 184042.18333333332 169259.14 0.0 144277.138 144277.138 0.0 338518.28 0.0 1104253.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169259.14 0.0 1104253.1 0.0 0.0 0.0 0.0 0.0 169259.14 0.0 1104253.1 0.0 0.0 0.0 0.0 0.0 338518.28 0.0 1104253.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 480923.7933333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 124.0 MoNA:3488274 Lin
125 622.2548884389759 0.81179327 75726.906 0.0 0.0 0.0 378634.53 0.0 378634.53 0.0 0.0 0.0 0.0 378634.53 0.0 151453.812 0.0 126211.51 0.0 0.0 75726.906 75726.906 0.0 0.0 0.0 757269.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 757269.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 757269.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 757269.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 252423.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94
126 263.17126988886605 0.812009 35935.656 0.0 94657.695 0.0 85020.585 0.0 85020.585 0.0 0.0 94657.695 0.0 85020.585 0.0 37863.078 34008.234000000004 28340.195000000003 94657.695 0.0 35935.656 35935.656 0.0 189315.39 0.0 0.0 0.0 0.0 0.0 0.0 170041.17 0.0 0.0 94657.695 0.0 0.0 0.0 0.0 0.0 85020.585 0.0 94657.695 0.0 0.0 0.0 0.0 0.0 85020.585 0.0 189315.39 0.0 0.0 0.0 0.0 0.0 0.0 170041.17 0.0 0.0 119785.52000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7
128 197.06713253221304 0.81428564 75536.644 0.0 0.0 0.0 0.0 377683.22 0.0 377683.22 0.0 0.0 0.0 0.0 377683.22 0.0 151073.288 125894.40666666666 0.0 0.0 75536.644 75536.644 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 755366.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377683.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377683.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 755366.44 0.0 0.0 251788.81333333327 107909.49142857142 0.0 0.0 0.0 0.0 755366.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
129 460.2023483231662 0.81428856 388109.3566 0.0 1473909.9 0.0 407421.375 59215.508 407421.375 59215.508 0.0 1473909.9 0.0 407421.375 59215.508 776218.7131999999 0.0 155545.62766666667 1473909.9 0.0 388109.3566 388109.3566 0.0 2947819.8 0.0 814842.75 118431.016 0.0 0.0 0.0 0.0 0.0 0.0 1473909.9 0.0 814842.75 118431.016 0.0 0.0 0.0 0.0 1473909.9 0.0 814842.75 118431.016 0.0 0.0 0.0 0.0 2947819.8 0.0 814842.75 118431.016 0.0 0.0 0.0 0.0 0.0 29607.754 1254220.85 0.0 16918.716571428573 39477.00533333333 0.0 0.0 0.0 0.0 0.0 0.0 118431.016 0.0 0.0 118431.016 0.0 94
127 313.1426118302376 0.814875 589069.88 0.0 0.0 0.0 1407738.0 1537611.4 1407738.0 1537611.4 0.0 0.0 0.0 1407738.0 1537611.4 0.0 1178139.76 981783.1333333332 0.0 0.0 589069.88 589069.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2815476.0 3075222.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2945349.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2945349.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2815476.0 3075222.8 0.0 938492.0 1025074.2666666666 439317.5428571428 0.0 0.0 0.0 0.0 3075222.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76
130 370.16386475585176 0.8175371 40887.106 204435.53 0.0 0.0 0.0 0.0 0.0 0.0 204435.53 0.0 0.0 0.0 0.0 0.0 81774.212 68145.17666666667 0.0 0.0 40887.106 40887.106 0.0 0.0 0.0 0.0 0.0 408871.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408871.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408871.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408871.06 0.0 0.0 0.0 0.0 102217.765 0.0 0.0 58410.15142857143 136290.35333333333 0.0 0.0 0.0 0.0 204435.53 0.0 0.0 0.0 0.0 0.0 408871.06 248
131 314.14618841958963 0.81759316 90595.586 0.0 0.0 114248.835 161044.875 177684.22 161044.875 177684.22 0.0 0.0 114248.835 161044.875 177684.22 0.0 181191.172 112909.69833333332 0.0 114248.835 90595.586 90595.586 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228497.67 322089.75 355368.44 0.0 0.0 0.0 0.0 0.0 0.0 228497.67 338729.095 0.0 0.0 0.0 0.0 0.0 0.0 228497.67 338729.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228497.67 322089.75 355368.44 0.0 107363.25 194622.03666666665 83409.44428571429 0.0 0.0 0.0 228497.67 355368.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
133 414.190076963769 0.8232504 58478.98299999999 196378.3 96016.615 0.0 0.0 0.0 0.0 0.0 196378.3 96016.615 0.0 0.0 0.0 0.0 116957.966 65459.43333333333 96016.615 0.0 58478.98299999999 58478.98299999999 0.0 0.0 0.0 0.0 0.0 392756.6 192033.23 0.0 0.0 0.0 0.0 96016.615 0.0 0.0 0.0 392756.6 0.0 0.0 0.0 96016.615 0.0 0.0 0.0 392756.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 392756.6 192033.23 0.0 0.0 0.0 98189.15 0.0 64011.07666666667 83541.40428571428 130918.86666666664 0.0 192033.23 0.0 0.0 196378.3 0.0 0.0 0.0 0.0 0.0 392756.6 248
134 231.0976033409719 0.82376873 165614.15 0.0 828070.75 0.0 0.0 0.0 0.0 0.0 0.0 828070.75 0.0 0.0 0.0 331228.3 0.0 0.0 828070.75 0.0 165614.15 165614.15 0.0 1656141.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 828070.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 828070.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1656141.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552047.1666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 134.0 Spectral Match to Asp-Pro from NIST14
135 160.13314020838047 0.82420033 62892.463 0.0 0.0 133338.53 181123.785 0.0 181123.785 0.0 0.0 0.0 133338.53 181123.785 0.0 92686.266 33098.66 60374.595 0.0 133338.53 62892.463 62892.463 0.0 0.0 266677.06 196754.27 0.0 0.0 0.0 0.0 165493.3 0.0 0.0 0.0 266677.06 196754.27 0.0 0.0 0.0 82746.65 0.0 0.0 266677.06 196754.27 0.0 0.0 0.0 82746.65 0.0 0.0 266677.06 196754.27 0.0 0.0 0.0 0.0 165493.3 0.0 66669.265 120749.19 0.0 38096.72285714286 0.0 266677.06 0.0 0.0 0.0 0.0 266677.06 0.0 0.0 266677.06 0.0 0.0 -1
136 442.18722355844346 0.82458633 167270.718 95178.95 240381.92 0.0 500792.72 0.0 500792.72 0.0 95178.95 240381.92 0.0 500792.72 0.0 200317.088 134224.348 198657.2233333333 240381.92 0.0 167270.718 167270.718 0.0 0.0 0.0 1001585.44 0.0 190357.9 480763.84 0.0 0.0 0.0 0.0 240381.92 0.0 1001585.44 0.0 190357.9 0.0 0.0 0.0 240381.92 0.0 1001585.44 0.0 190357.9 0.0 0.0 0.0 0.0 0.0 1001585.44 0.0 190357.9 480763.84 0.0 0.0 0.0 47589.475 333861.8133333333 160254.61333333334 95874.53428571428 63452.63333333333 0.0 480763.84 0.0 0.0 95178.95 0.0 0.0 0.0 0.0 0.0 190357.9 94
138 170.08108086420333 0.8263662 85841.118 0.0 429205.59 0.0 0.0 0.0 0.0 0.0 0.0 429205.59 0.0 0.0 0.0 53076.35600000001 118605.88 0.0 429205.59 0.0 85841.118 85841.118 0.0 265381.78 0.0 0.0 0.0 0.0 593029.4 0.0 0.0 0.0 0.0 429205.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 429205.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 265381.78 0.0 0.0 0.0 0.0 593029.4 0.0 0.0 0.0 0.0 88460.59333333334 197676.46666666667 84718.48571428572 0.0 0.0 593029.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115 138.0 pyridoxamine
139 232.1179550524688 0.82668084 51431.934 0.0 0.0 0.0 257159.67 0.0 257159.67 0.0 0.0 0.0 0.0 257159.67 0.0 102863.868 0.0 85719.89 0.0 0.0 51431.934 51431.934 0.0 0.0 0.0 514319.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 514319.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 514319.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 514319.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171439.78 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 10 139.0 Massbank:KO003629 Nalidixate|Nalidixic acid
140 250.12850130968184 0.82668084 70206.8 0.0 0.0 0.0 351034.0 0.0 351034.0 0.0 0.0 0.0 0.0 351034.0 0.0 140413.6 0.0 117011.33333333331 0.0 0.0 70206.8 70206.8 0.0 0.0 0.0 702068.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 702068.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 702068.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 702068.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 234022.66666666663 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 140.0 9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
145 463.160203907071 0.8289637 162394.59 0.0 811972.95 0.0 0.0 0.0 0.0 0.0 0.0 811972.95 0.0 0.0 0.0 0.0 324789.18 0.0 811972.95 0.0 162394.59 162394.59 0.0 0.0 0.0 0.0 0.0 0.0 1623945.9 0.0 0.0 0.0 0.0 811972.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 811972.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1623945.9 0.0 0.0 0.0 0.0 0.0 541315.2999999999 231992.2714285714 0.0 0.0 1623945.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164
141 426.153885372099 0.829672 22940.748 0.0 0.0 0.0 0.0 114703.74 0.0 114703.74 0.0 0.0 0.0 0.0 114703.74 0.0 45881.496 38234.58 0.0 0.0 22940.748 22940.748 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 229407.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114703.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114703.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 229407.48 0.0 0.0 76469.16 32772.497142857144 0.0 0.0 0.0 0.0 229407.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
142 341.14865751098586 0.8299994 56259.89 0.0 0.0 0.0 281299.45 0.0 281299.45 0.0 0.0 0.0 0.0 281299.45 0.0 0.0 112519.78 93766.48333333334 0.0 0.0 56259.89 56259.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 562598.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281299.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281299.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 562598.9 0.0 0.0 187532.96666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
143 259.1287127590227 0.83143026 123371.121 0.0 428249.955 0.0 188605.65 0.0 188605.65 0.0 0.0 428249.955 0.0 188605.65 0.0 187481.948 59260.294 62868.55 428249.955 0.0 123371.121 123371.121 0.0 560198.44 0.0 377211.3 0.0 0.0 296301.47 0.0 0.0 0.0 0.0 428249.955 0.0 377211.3 0.0 0.0 0.0 0.0 0.0 428249.955 0.0 377211.3 0.0 0.0 0.0 0.0 0.0 560198.44 0.0 377211.3 0.0 0.0 296301.47 0.0 0.0 0.0 0.0 312469.91333333333 98767.15666666666 42328.78142857143 0.0 0.0 296301.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 143.0 Spectral Match to L-Saccharopine from NIST14
144 412.1744280907504 0.83206934 28107.172 140535.86 0.0 0.0 0.0 0.0 0.0 0.0 140535.86 0.0 0.0 0.0 0.0 0.0 56214.344 46845.28666666666 0.0 0.0 28107.172 28107.172 0.0 0.0 0.0 0.0 0.0 281071.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281071.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281071.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281071.72 0.0 0.0 0.0 0.0 70267.93 0.0 0.0 40153.10285714285 93690.57333333332 0.0 0.0 0.0 0.0 140535.86 0.0 0.0 0.0 0.0 0.0 281071.72 -1
146 382.1638900520033 0.8360374 148297.035 295919.9 0.0 195251.75 104437.51 145876.015 104437.51 145876.015 295919.9 0.0 195251.75 104437.51 145876.015 0.0 296594.07 182077.80833333332 0.0 195251.75 148297.035 148297.035 0.0 0.0 0.0 0.0 0.0 591839.8 0.0 390503.5 208875.02 291752.03 0.0 0.0 0.0 0.0 0.0 591839.8 390503.5 250313.525 0.0 0.0 0.0 0.0 0.0 591839.8 390503.5 250313.525 0.0 0.0 0.0 0.0 0.0 591839.8 0.0 390503.5 208875.02 291752.03 147959.95 69625.00666666667 227418.51 182013.61857142855 197279.93333333332 0.0 0.0 390503.5 291752.03 295919.9 0.0 0.0 0.0 0.0 0.0 591839.8 290
147 524.1967710658008 0.8386484 110083.38 0.0 550416.9 0.0 0.0 0.0 0.0 0.0 0.0 550416.9 0.0 0.0 0.0 220166.76 0.0 0.0 550416.9 0.0 110083.38 110083.38 0.0 1100833.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 550416.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 550416.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1100833.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 366944.6 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 0.0 312
148 654.2824272276084 0.8430524 65592.378 0.0 0.0 0.0 327961.89 0.0 327961.89 0.0 0.0 0.0 0.0 327961.89 0.0 92346.594 38838.162 109320.63 0.0 0.0 65592.378 65592.378 0.0 0.0 0.0 461732.97 0.0 0.0 0.0 0.0 194190.81 0.0 0.0 0.0 0.0 461732.97 0.0 0.0 0.0 97095.405 0.0 0.0 0.0 461732.97 0.0 0.0 0.0 97095.405 0.0 0.0 0.0 461732.97 0.0 0.0 0.0 0.0 194190.81 0.0 0.0 218641.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108
149 236.1223150339295 0.8453808 288602.2 0.0 1137115.9 0.0 0.0 305895.1 0.0 305895.1 0.0 1137115.9 0.0 0.0 305895.1 577204.4 0.0 101965.03333333333 1137115.9 0.0 288602.2 288602.2 0.0 2274231.8 0.0 0.0 611790.2 0.0 0.0 0.0 0.0 0.0 0.0 1137115.9 0.0 0.0 611790.2 0.0 0.0 0.0 0.0 1137115.9 0.0 0.0 611790.2 0.0 0.0 0.0 0.0 2274231.8 0.0 0.0 611790.2 0.0 0.0 0.0 0.0 0.0 152947.55 758077.2666666666 0.0 87398.59999999999 203930.06666666665 0.0 0.0 0.0 0.0 0.0 0.0 611790.2 0.0 0.0 611790.2 0.0 40 149.0 Spectral Match to His-Pro from NIST14
151 187.10756400952377 0.84811085 95464.117 199440.03 0.0 189004.265 0.0 88876.29 0.0 88876.29 199440.03 0.0 189004.265 0.0 88876.29 0.0 190928.234 96105.44 0.0 189004.265 95464.117 95464.117 0.0 0.0 0.0 0.0 0.0 398880.06 0.0 378008.53 0.0 177752.58 0.0 0.0 0.0 0.0 0.0 398880.06 378008.53 88876.29 0.0 0.0 0.0 0.0 0.0 398880.06 378008.53 88876.29 0.0 0.0 0.0 0.0 0.0 398880.06 0.0 378008.53 0.0 177752.58 99720.015 0.0 185253.7033333333 136377.31 132960.02 0.0 0.0 378008.53 177752.58 199440.03 0.0 0.0 0.0 0.0 0.0 398880.06 50
150 235.1189122908699 0.8512732 5350085.3 2735473.25 10185544.0 3866338.75 7000617.0 2962453.5 7000617.0 2962453.5 2735473.25 10185544.0 3866338.75 7000617.0 2962453.5 10700170.6 0.0 4232847.916666667 10185544.0 3866338.75 5350085.3 5350085.3 5470946.5 20371088.0 7732677.5 14001234.0 5924907.0 0.0 0.0 0.0 0.0 0.0 5470946.5 10185544.0 7732677.5 14001234.0 5924907.0 0.0 0.0 0.0 5470946.5 10185544.0 7732677.5 14001234.0 5924907.0 0.0 0.0 0.0 5470946.5 20371088.0 7732677.5 14001234.0 5924907.0 0.0 0.0 0.0 0.0 0.0 4782132.75 11457440.666666666 0.0 2732647.285714286 3798617.8333333335 7732677.5 0.0 0.0 0.0 2735473.25 7732677.5 5924907.0 5470946.5 7732677.5 5924907.0 0.0 40 150.0 Spectral Match to His-Pro from NIST14
153 377.137475473437 0.85590523 110864.6354 60790.957 197345.14 0.0 137702.11 158484.97 137702.11 158484.97 60790.957 197345.14 0.0 137702.11 158484.97 42772.256 178957.0148 118992.679 197345.14 0.0 110864.6354 110864.6354 0.0 213861.28 0.0 0.0 0.0 121581.914 180829.0 0.0 275404.22 316969.94 0.0 197345.14 0.0 0.0 0.0 121581.914 0.0 296187.08 0.0 197345.14 0.0 0.0 0.0 121581.914 0.0 296187.08 0.0 213861.28 0.0 0.0 0.0 121581.914 180829.0 0.0 275404.22 316969.94 30395.4785 163088.5 165932.98 88482.97914285715 40527.30466666667 0.0 180829.0 0.0 316969.94 60790.957 0.0 0.0 0.0 0.0 0.0 121581.914 76
154 625.1587116626977 0.8572247 74067.094 0.0 0.0 0.0 370335.47 0.0 370335.47 0.0 0.0 0.0 0.0 370335.47 0.0 148134.188 0.0 123445.15666666666 0.0 0.0 74067.094 74067.094 0.0 0.0 0.0 740670.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 740670.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 740670.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 740670.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 246890.31333333327 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
155 217.1181571060554 0.85806084 144792.482 169137.97 251563.045 175524.67 59269.715 68467.01 59269.715 68467.01 169137.97 251563.045 175524.67 59269.715 68467.01 65083.55 224501.414 98958.23166666667 251563.045 175524.67 144792.482 144792.482 0.0 325417.75 0.0 0.0 0.0 338275.94 177708.34 351049.34 118539.43 136934.02 0.0 251563.045 0.0 0.0 0.0 338275.94 351049.34 127736.725 0.0 251563.045 0.0 0.0 0.0 338275.94 351049.34 127736.725 0.0 325417.75 0.0 0.0 0.0 338275.94 177708.34 351049.34 118539.43 136934.02 84568.985 147985.72666666663 221897.2333333333 143423.94857142857 112758.64666666668 0.0 177708.34 351049.34 136934.02 169137.97 0.0 0.0 0.0 0.0 0.0 338275.94 -1 155.0 Spectral Match to Val-Pro from NIST14
156 212.1393094806849 0.8615246 33950.240000000005 0.0 0.0 169751.2 0.0 0.0 0.0 0.0 0.0 0.0 169751.2 0.0 0.0 67900.48000000001 0.0 0.0 0.0 169751.2 33950.240000000005 33950.240000000005 0.0 0.0 339502.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339502.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339502.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339502.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84875.6 0.0 0.0 48500.34285714286 0.0 339502.4 0.0 0.0 0.0 0.0 339502.4 0.0 0.0 339502.4 0.0 0.0 17
160 247.12871581091983 0.86360854 483653.859 235674.1 1896252.8 53973.465 174402.61 57966.32 174402.61 57966.32 235674.1 1896252.8 53973.465 174402.61 57966.32 414869.05 552438.668 156014.34333333332 1896252.8 53973.465 483653.859 483653.859 0.0 1617593.1 107946.93 348805.22 0.0 471348.2 2174912.5 0.0 0.0 115932.64 0.0 1896252.8 107946.93 348805.22 0.0 471348.2 0.0 57966.32 0.0 1896252.8 107946.93 348805.22 0.0 471348.2 0.0 57966.32 0.0 1617593.1 107946.93 348805.22 0.0 471348.2 2174912.5 0.0 0.0 115932.64 144823.7825 655466.1066666667 763615.0466666667 410020.03857142857 157116.06666666668 107946.93 2174912.5 0.0 115932.64 235674.1 107946.93 0.0 0.0 107946.93 0.0 471348.2 247
161 245.14955213611813 0.86404335 31029.287 0.0 0.0 82349.42 0.0 72797.015 0.0 72797.015 0.0 0.0 82349.42 0.0 72797.015 62058.574 0.0 24265.671666666665 0.0 82349.42 31029.287 31029.287 0.0 0.0 164698.84 0.0 145594.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164698.84 0.0 145594.03 0.0 0.0 0.0 0.0 0.0 164698.84 0.0 145594.03 0.0 0.0 0.0 0.0 0.0 164698.84 0.0 145594.03 0.0 0.0 0.0 0.0 0.0 77573.2175 0.0 0.0 44327.55285714286 48531.34333333333 164698.84 0.0 0.0 0.0 0.0 164698.84 145594.03 0.0 164698.84 145594.03 0.0 131
162 440.16783125444965 0.8657168 57849.473 0.0 0.0 0.0 87990.015 201257.35 87990.015 201257.35 0.0 0.0 0.0 87990.015 201257.35 35196.006 80502.94 96415.78833333332 0.0 0.0 57849.473 57849.473 0.0 0.0 0.0 175980.03 0.0 0.0 0.0 0.0 0.0 402514.7 0.0 0.0 0.0 175980.03 0.0 0.0 0.0 201257.35 0.0 0.0 0.0 175980.03 0.0 0.0 0.0 201257.35 0.0 0.0 0.0 175980.03 0.0 0.0 0.0 0.0 0.0 402514.7 0.0 58660.01 134171.56666666668 57502.1 0.0 0.0 0.0 0.0 402514.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 162.0 CERONAPRIL
164 284.0987415612263 0.8706252 115382.98 201207.515 76225.375 71024.335 89687.225 138770.45 89687.225 138770.45 201207.515 76225.375 71024.335 89687.225 138770.45 0.0 230765.96 143221.73 76225.375 71024.335 115382.98 115382.98 0.0 0.0 0.0 0.0 0.0 402415.03 152450.75 142048.67 179374.45 277540.9 0.0 76225.375 0.0 0.0 0.0 402415.03 142048.67 228457.675 0.0 76225.375 0.0 0.0 0.0 402415.03 142048.67 228457.675 0.0 0.0 0.0 0.0 0.0 402415.03 152450.75 142048.67 179374.45 277540.9 100603.7575 59791.48333333334 190680.1066666667 139207.90714285715 134138.34333333335 0.0 152450.75 142048.67 277540.9 201207.515 0.0 0.0 0.0 0.0 0.0 402415.03 -1 164.0 Spectral Match to Guanosine from NIST14
165 158.0923666446219 0.87252504 229334.673 0.0 414682.85 257364.985 474625.53 0.0 474625.53 0.0 0.0 414682.85 257364.985 474625.53 0.0 458669.346 0.0 158208.51 414682.85 257364.985 229334.673 229334.673 0.0 829365.7 514729.97 949251.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 414682.85 514729.97 949251.06 0.0 0.0 0.0 0.0 0.0 414682.85 514729.97 949251.06 0.0 0.0 0.0 0.0 0.0 829365.7 514729.97 949251.06 0.0 0.0 0.0 0.0 0.0 0.0 128682.4925 592872.2533333333 0.0 73532.85285714285 0.0 514729.97 0.0 0.0 0.0 0.0 514729.97 0.0 0.0 514729.97 0.0 0.0 200
159 327.1582380544072 0.87363297 136842.71000000002 0.0 0.0 0.0 0.0 684213.55 0.0 684213.55 0.0 0.0 0.0 0.0 684213.55 0.0 273685.42000000004 228071.18333333332 0.0 0.0 136842.71000000002 136842.71000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1368427.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 684213.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 684213.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1368427.1 0.0 0.0 456142.3666666667 195489.58571428573 0.0 0.0 0.0 0.0 1368427.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76
158 268.10389601076685 0.8743445 418027.38 538872.55 978680.25 0.0 572584.1 0.0 572584.1 0.0 538872.55 978680.25 0.0 572584.1 0.0 229033.64 607021.12 370485.55 978680.25 0.0 418027.38 418027.38 0.0 0.0 0.0 1145168.2 0.0 1077745.1 1957360.5 0.0 0.0 0.0 0.0 978680.25 0.0 1145168.2 0.0 1077745.1 0.0 0.0 0.0 978680.25 0.0 1145168.2 0.0 1077745.1 0.0 0.0 0.0 0.0 0.0 1145168.2 0.0 1077745.1 1957360.5 0.0 0.0 0.0 269436.275 381722.7333333333 652453.5 433586.5142857143 359248.3666666667 0.0 1957360.5 0.0 0.0 538872.55 0.0 0.0 0.0 0.0 0.0 1077745.1 164 158.0 Massbank:EQ330404 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
166 229.1182282317889 0.8747112 54264.54 0.0 271322.7 0.0 0.0 0.0 0.0 0.0 0.0 271322.7 0.0 0.0 0.0 0.0 108529.08 0.0 271322.7 0.0 54264.54 54264.54 0.0 0.0 0.0 0.0 0.0 0.0 542645.4 0.0 0.0 0.0 0.0 271322.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271322.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542645.4 0.0 0.0 0.0 0.0 0.0 180881.8 77520.77142857143 0.0 0.0 542645.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 247 166.0 Spectral Match to Leu-Pro from NIST14
167 290.1709664815852 0.8747112 42221.294 0.0 211106.47 0.0 0.0 0.0 0.0 0.0 0.0 211106.47 0.0 0.0 0.0 0.0 84442.588 0.0 211106.47 0.0 42221.294 42221.294 0.0 0.0 0.0 0.0 0.0 0.0 422212.94 0.0 0.0 0.0 0.0 211106.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211106.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 422212.94 0.0 0.0 0.0 0.0 0.0 140737.64666666667 60316.13428571429 0.0 0.0 422212.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197
168 227.10252509753013 0.876726 246663.005 156253.44 83827.985 188342.59 647153.45 157737.56 647153.45 157737.56 156253.44 83827.985 188342.59 647153.45 157737.56 339228.944 154097.066 320381.48333333334 83827.985 188342.59 246663.005 246663.005 145708.3 0.0 256129.52 1294306.9 0.0 166798.58 167655.97 120555.66 0.0 315475.12 145708.3 83827.985 256129.52 1294306.9 0.0 166798.58 120555.66 157737.56 145708.3 83827.985 256129.52 1294306.9 0.0 166798.58 120555.66 157737.56 145708.3 0.0 256129.52 1294306.9 0.0 166798.58 167655.97 120555.66 0.0 315475.12 142159.1 431435.6333333333 201228.91666666663 167474.73571428572 104168.96 256129.52 167655.97 120555.66 315475.12 156253.44 256129.52 0.0 145708.3 256129.52 0.0 166798.58 -1 168.0 Spectral Match to PyroGlu-Pro from NIST14
169 150.0582827827058 0.8769619 368671.674 146051.45 871953.05 69628.17 755725.7 0.0 755725.7 0.0 146051.45 871953.05 69628.17 755725.7 0.0 678922.7679999999 58420.58 300592.3833333333 871953.05 69628.17 368671.674 368671.674 0.0 1743906.1 139256.34 1511451.4 0.0 292102.9 0.0 0.0 0.0 0.0 0.0 871953.05 139256.34 1511451.4 0.0 292102.9 0.0 0.0 0.0 871953.05 139256.34 1511451.4 0.0 292102.9 0.0 0.0 0.0 1743906.1 139256.34 1511451.4 0.0 292102.9 0.0 0.0 0.0 0.0 107839.81 1085119.1666666667 0.0 61622.74857142857 97367.63333333336 139256.34 0.0 0.0 0.0 146051.45 139256.34 0.0 0.0 139256.34 0.0 292102.9 -1 169.0 ReSpect:PM000934 L-Methionine
170 408.17809758834994 0.8805902 85472.50899999999 0.0 0.0 0.0 328432.35 98930.195 328432.35 98930.195 0.0 0.0 0.0 328432.35 98930.195 131372.94 39572.078 142454.18166666667 0.0 0.0 85472.50899999999 85472.50899999999 0.0 0.0 0.0 656864.7 0.0 0.0 0.0 0.0 0.0 197860.39 0.0 0.0 0.0 656864.7 0.0 0.0 0.0 98930.195 0.0 0.0 0.0 656864.7 0.0 0.0 0.0 98930.195 0.0 0.0 0.0 656864.7 0.0 0.0 0.0 0.0 0.0 197860.39 0.0 218954.9 65953.46333333333 28265.77 0.0 0.0 0.0 0.0 197860.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27
171 403.1707699223096 0.88398474 498876.5 0.0 2494382.5 0.0 0.0 0.0 0.0 0.0 0.0 2494382.5 0.0 0.0 0.0 997753.0 0.0 0.0 2494382.5 0.0 498876.5 498876.5 0.0 4988765.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2494382.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2494382.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4988765.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1662921.6666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97
172 565.2235033552785 0.88398474 408772.42 0.0 2043862.1 0.0 0.0 0.0 0.0 0.0 0.0 2043862.1 0.0 0.0 0.0 817544.8400000001 0.0 0.0 2043862.1 0.0 408772.42 408772.42 0.0 4087724.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2043862.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2043862.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4087724.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362574.7333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97
173 581.2183719238981 0.88398474 136353.28 0.0 681766.4 0.0 0.0 0.0 0.0 0.0 0.0 681766.4 0.0 0.0 0.0 272706.56 0.0 0.0 681766.4 0.0 136353.28 136353.28 0.0 1363532.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681766.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681766.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1363532.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 454510.93333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97
174 209.12836947208933 0.8841709 155877.69199999998 62543.26 345686.81999999995 0.0 297538.2 73620.18 297538.2 73620.18 62543.26 345686.81999999995 0.0 297538.2 73620.18 285023.496 26731.888 144567.21333333335 345686.81999999995 0.0 155877.69199999998 155877.69199999998 125086.52 557714.2 0.0 595076.4 147240.36 0.0 133659.44 0.0 0.0 0.0 125086.52 345686.81999999995 0.0 595076.4 147240.36 0.0 0.0 0.0 125086.52 345686.81999999995 0.0 595076.4 147240.36 0.0 0.0 0.0 125086.52 557714.2 0.0 595076.4 147240.36 0.0 133659.44 0.0 0.0 0.0 68081.72 384263.5333333334 44553.14666666667 57998.04571428571 90775.62666666666 0.0 133659.44 0.0 0.0 62543.26 0.0 147240.36 125086.52 0.0 147240.36 0.0 17
182 226.1549726728564 0.8856052 855619.45 0.0 2374443.5 0.0 1903653.75 0.0 1903653.75 0.0 0.0 2374443.5 0.0 1903653.75 0.0 1711238.9 0.0 634551.25 2374443.5 0.0 855619.45 855619.45 0.0 4748887.0 0.0 3807307.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2374443.5 0.0 3807307.5 0.0 0.0 0.0 0.0 0.0 2374443.5 0.0 3807307.5 0.0 0.0 0.0 0.0 0.0 4748887.0 0.0 3807307.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2852064.833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17
175 230.113493517748 0.8856052 126144.71800000002 0.0 459757.53 0.0 170966.06 0.0 170966.06 0.0 0.0 459757.53 0.0 170966.06 0.0 252289.43600000005 0.0 56988.68666666667 459757.53 0.0 126144.71800000002 126144.71800000002 0.0 919515.06 0.0 341932.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 459757.53 0.0 341932.12 0.0 0.0 0.0 0.0 0.0 459757.53 0.0 341932.12 0.0 0.0 0.0 0.0 0.0 919515.06 0.0 341932.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 420482.39333333337 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
176 152.05669439505095 0.8857289 474608.556 113867.515 94323.2 108668.22 1840493.22 215690.625 1840493.22 215690.625 113867.515 94323.2 108668.22 1840493.22 215690.625 661587.0 287630.112 723350.4533333333 94323.2 108668.22 474608.556 474608.556 0.0 0.0 0.0 3307935.0 0.0 227735.03 188646.4 217336.44 373051.44 431381.25 0.0 94323.2 0.0 3307935.0 0.0 227735.03 217336.44 402216.345 0.0 94323.2 0.0 3307935.0 0.0 227735.03 217336.44 402216.345 0.0 0.0 0.0 3307935.0 0.0 227735.03 188646.4 217336.44 373051.44 431381.25 56933.7575 1226995.48 279121.36333333334 152157.01714285713 75911.67666666667 0.0 188646.4 217336.44 431381.25 113867.515 0.0 0.0 0.0 0.0 0.0 227735.03 -1 176.0 Spectral Match to Guanine from NIST14
178 213.12332258013035 0.88630253 212455.445 0.0 162686.22999999998 170485.59000000003 0.0 729105.405 0.0 729105.405 0.0 162686.22999999998 170485.59000000003 0.0 729105.405 240761.264 184149.626 243035.135 162686.22999999998 170485.59000000003 212455.445 212455.445 0.0 158881.56 155627.2 0.0 889297.56 0.0 166490.9 185343.98 0.0 568913.25 0.0 162686.22999999998 155627.2 0.0 889297.56 0.0 185343.98 284456.625 0.0 162686.22999999998 155627.2 0.0 889297.56 0.0 185343.98 284456.625 0.0 158881.56 155627.2 0.0 889297.56 0.0 166490.9 185343.98 0.0 568913.25 261231.19 52960.52 306916.04333333333 280810.41285714286 296432.52 155627.2 166490.9 185343.98 568913.25 0.0 155627.2 889297.56 0.0 155627.2 889297.56 0.0 40
179 376.18974481829497 0.8873003 54425.10400000001 0.0 75070.2 97472.805 99582.515 0.0 99582.515 0.0 0.0 75070.2 97472.805 99582.515 0.0 108850.208 0.0 33194.17166666667 75070.2 97472.805 54425.10400000001 54425.10400000001 0.0 150140.4 194945.61 199165.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75070.2 194945.61 199165.03 0.0 0.0 0.0 0.0 0.0 75070.2 194945.61 199165.03 0.0 0.0 0.0 0.0 0.0 150140.4 194945.61 199165.03 0.0 0.0 0.0 0.0 0.0 0.0 48736.4025 116435.14333333333 0.0 27849.37285714285 0.0 194945.61 0.0 0.0 0.0 0.0 194945.61 0.0 0.0 194945.61 0.0 0.0 131
180 195.11274615976188 0.8874863 52709.630000000005 0.0 85047.885 132209.75 46290.515 0.0 46290.515 0.0 0.0 85047.885 132209.75 46290.515 0.0 105419.26 0.0 15430.171666666669 85047.885 132209.75 52709.630000000005 52709.630000000005 0.0 170095.77 264419.5 92581.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85047.885 264419.5 92581.03 0.0 0.0 0.0 0.0 0.0 85047.885 264419.5 92581.03 0.0 0.0 0.0 0.0 0.0 170095.77 264419.5 92581.03 0.0 0.0 0.0 0.0 0.0 0.0 66104.875 87558.93333333333 0.0 37774.21428571428 0.0 264419.5 0.0 0.0 0.0 0.0 264419.5 0.0 0.0 264419.5 0.0 0.0 17
181 203.13888938150063 0.8880432 227938.70840000003 618409.1 521284.442 0.0 0.0 0.0 0.0 0.0 618409.1 521284.442 0.0 0.0 0.0 25465.5968 430411.82 206136.36666666667 521284.442 0.0 227938.70840000003 227938.70840000003 0.0 127327.984 0.0 0.0 0.0 1236818.2 915240.9 0.0 0.0 0.0 0.0 521284.442 0.0 0.0 0.0 1236818.2 0.0 0.0 0.0 521284.442 0.0 0.0 0.0 1236818.2 0.0 0.0 0.0 127327.984 0.0 0.0 0.0 1236818.2 915240.9 0.0 0.0 0.0 309204.55 42442.66133333333 305080.3 307437.0142857143 412272.7333333333 0.0 915240.9 0.0 0.0 618409.1 0.0 0.0 0.0 0.0 0.0 1236818.2 7
183 294.11833966737714 0.8889127 81572.60900000001 0.0 74630.875 0.0 333232.17000000004 0.0 333232.17000000004 0.0 0.0 74630.875 0.0 333232.17000000004 0.0 73690.25600000001 89454.962 111077.39 74630.875 0.0 81572.60900000001 81572.60900000001 0.0 0.0 0.0 368451.28 0.0 0.0 149261.75 0.0 298013.06 0.0 0.0 74630.875 0.0 368451.28 0.0 0.0 0.0 149006.53 0.0 74630.875 0.0 368451.28 0.0 0.0 0.0 149006.53 0.0 0.0 0.0 368451.28 0.0 0.0 149261.75 0.0 298013.06 0.0 0.0 222154.78000000003 49753.91666666666 21323.10714285714 0.0 0.0 149261.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 183.0 N-ACETYLMURAMIC ACID
184 257.113116857674 0.8896143 48442.422 0.0 242212.11 0.0 0.0 0.0 0.0 0.0 0.0 242212.11 0.0 0.0 0.0 0.0 96884.844 0.0 242212.11 0.0 48442.422 48442.422 0.0 0.0 0.0 0.0 0.0 0.0 484424.22 0.0 0.0 0.0 0.0 242212.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242212.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 484424.22 0.0 0.0 0.0 0.0 0.0 161474.74 69203.45999999999 0.0 0.0 484424.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
185 318.16588532085234 0.8896143 51160.34 0.0 255801.7 0.0 0.0 0.0 0.0 0.0 0.0 255801.7 0.0 0.0 0.0 0.0 102320.68 0.0 255801.7 0.0 51160.34 51160.34 0.0 0.0 0.0 0.0 0.0 0.0 511603.4 0.0 0.0 0.0 0.0 255801.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255801.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 511603.4 0.0 0.0 0.0 0.0 0.0 170534.46666666667 73086.2 0.0 0.0 511603.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197
187 219.13383083169805 0.89007246 108675.866 319482.5 223896.83 0.0 0.0 0.0 0.0 0.0 319482.5 223896.83 0.0 0.0 0.0 0.0 217351.732 106494.16666666669 223896.83 0.0 108675.866 108675.866 0.0 0.0 0.0 0.0 0.0 638965.0 447793.66 0.0 0.0 0.0 0.0 223896.83 0.0 0.0 0.0 638965.0 0.0 0.0 0.0 223896.83 0.0 0.0 0.0 638965.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 638965.0 447793.66 0.0 0.0 0.0 159741.25 0.0 149264.55333333332 155251.23714285714 212988.3333333333 0.0 447793.66 0.0 0.0 319482.5 0.0 0.0 0.0 0.0 0.0 638965.0 7 187.0 Lys-C4:0
188 241.15462117765355 0.89007056 60412.067 46195.635 68813.915 74150.3 0.0 112900.485 0.0 112900.485 46195.635 68813.915 74150.3 0.0 112900.485 80015.56399999998 40808.57 53032.04 68813.915 74150.3 60412.067 60412.067 0.0 137627.83 148300.6 0.0 114149.39 92391.27 0.0 0.0 0.0 111651.58 0.0 68813.915 148300.6 0.0 114149.39 92391.27 0.0 55825.79 0.0 68813.915 148300.6 0.0 114149.39 92391.27 0.0 55825.79 0.0 137627.83 148300.6 0.0 114149.39 92391.27 0.0 0.0 0.0 111651.58 88710.315 45875.94333333333 37217.193333333336 66641.83428571429 68846.88666666667 148300.6 0.0 0.0 111651.58 46195.635 148300.6 114149.39 0.0 148300.6 114149.39 92391.27 -1 188.0 N,N-dimethyl-proline-proline betaine
189 233.1495178552757 0.89007246 133194.525 459240.375 206732.25 0.0 0.0 0.0 0.0 0.0 459240.375 206732.25 0.0 0.0 0.0 0.0 266389.05 153080.125 206732.25 0.0 133194.525 133194.525 0.0 0.0 0.0 0.0 0.0 918480.75 413464.5 0.0 0.0 0.0 0.0 206732.25 0.0 0.0 0.0 918480.75 0.0 0.0 0.0 206732.25 0.0 0.0 0.0 918480.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 918480.75 413464.5 0.0 0.0 0.0 229620.1875 0.0 137821.5 190277.89285714287 306160.25 0.0 413464.5 0.0 0.0 459240.375 0.0 0.0 0.0 0.0 0.0 918480.75 7 189.0 Spectral Match to Leu-Val from NIST14
190 174.12360547744817 0.89017814 35601.566 0.0 0.0 0.0 178007.83 0.0 178007.83 0.0 0.0 0.0 0.0 178007.83 0.0 0.0 71203.132 59335.94333333333 0.0 0.0 35601.566 35601.566 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356015.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178007.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178007.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356015.66 0.0 0.0 118671.88666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
192 201.08696074280004 0.89303595 103370.068 0.0 439675.05 0.0 77175.29 0.0 77175.29 0.0 0.0 439675.05 0.0 77175.29 0.0 206740.136 0.0 25725.096666666665 439675.05 0.0 103370.068 103370.068 0.0 879350.1 0.0 154350.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 439675.05 0.0 154350.58 0.0 0.0 0.0 0.0 0.0 439675.05 0.0 154350.58 0.0 0.0 0.0 0.0 0.0 879350.1 0.0 154350.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 344566.8933333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
193 276.1440856339433 0.8930364 258446.6 0.0 503561.8 0.0 788671.2 0.0 788671.2 0.0 0.0 503561.8 0.0 788671.2 0.0 516893.2 0.0 262890.4 503561.8 0.0 258446.6 258446.6 0.0 1007123.6 0.0 1577342.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 503561.8 0.0 1577342.4 0.0 0.0 0.0 0.0 0.0 503561.8 0.0 1577342.4 0.0 0.0 0.0 0.0 0.0 1007123.6 0.0 1577342.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 861488.6666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10
195 312.19156351389233 0.8933687 82121.285 228318.14 59061.075 0.0 68486.15 54741.06 68486.15 54741.06 228318.14 59061.075 0.0 68486.15 54741.06 0.0 164242.57 117181.78333333334 59061.075 0.0 82121.285 82121.285 0.0 0.0 0.0 0.0 0.0 456636.28 118122.15 0.0 136972.3 109482.12 0.0 59061.075 0.0 0.0 0.0 456636.28 0.0 123227.21 0.0 59061.075 0.0 0.0 0.0 456636.28 0.0 123227.21 0.0 0.0 0.0 0.0 0.0 456636.28 118122.15 0.0 136972.3 109482.12 114159.07 45657.43333333333 75868.09 97748.65 152212.09333333335 0.0 118122.15 0.0 109482.12 228318.14 0.0 0.0 0.0 0.0 0.0 456636.28 337 195.0 Val-pro-pro
196 188.0916076686545 0.8943083 44666.11 134189.69 0.0 89140.86 0.0 0.0 0.0 0.0 134189.69 0.0 89140.86 0.0 0.0 0.0 89332.22 44729.89666666667 0.0 89140.86 44666.11 44666.11 0.0 0.0 0.0 0.0 0.0 268379.38 0.0 178281.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268379.38 178281.72 0.0 0.0 0.0 0.0 0.0 0.0 268379.38 178281.72 0.0 0.0 0.0 0.0 0.0 0.0 268379.38 0.0 178281.72 0.0 0.0 67094.845 0.0 59427.24 63808.72857142857 89459.79333333333 0.0 0.0 178281.72 0.0 134189.69 0.0 0.0 0.0 0.0 0.0 268379.38 -1
197 294.1546764293515 0.8968496 365520.712 0.0 890676.26 0.0 936927.3 0.0 936927.3 0.0 0.0 890676.26 0.0 936927.3 0.0 711156.54 19884.884 312309.10000000003 890676.26 0.0 365520.712 365520.712 0.0 1681928.1 0.0 1873854.6 0.0 0.0 99424.42 0.0 0.0 0.0 0.0 890676.26 0.0 1873854.6 0.0 0.0 0.0 0.0 0.0 890676.26 0.0 1873854.6 0.0 0.0 0.0 0.0 0.0 1681928.1 0.0 1873854.6 0.0 0.0 99424.42 0.0 0.0 0.0 0.0 1185260.9 33141.473333333335 14203.488571428572 0.0 0.0 99424.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 197.0 Massbank:PR310824 N-Fructosyl isoleucine
198 181.0971370012 0.8971396 230605.778 0.0 300762.45 295254.15 451494.9 105517.39 451494.9 105517.39 0.0 300762.45 295254.15 451494.9 105517.39 461211.556 0.0 185670.7633333333 300762.45 295254.15 230605.778 230605.778 0.0 601524.9 590508.3 902989.8 211034.78 0.0 0.0 0.0 0.0 0.0 0.0 300762.45 590508.3 902989.8 211034.78 0.0 0.0 0.0 0.0 300762.45 590508.3 902989.8 211034.78 0.0 0.0 0.0 0.0 601524.9 590508.3 902989.8 211034.78 0.0 0.0 0.0 0.0 0.0 200385.77 501504.9000000001 0.0 114506.15428571428 70344.92666666667 590508.3 0.0 0.0 0.0 0.0 590508.3 211034.78 0.0 590508.3 211034.78 0.0 312 198.0 Spectral Match to L-Tyrosine from NIST14
191 182.0810896396662 0.897155 3073398.48 434594.4 9013134.0 0.0 5919264.0 0.0 5919264.0 0.0 434594.4 9013134.0 0.0 5919264.0 0.0 5972959.2 173837.76 2117952.8000000003 9013134.0 0.0 3073398.48 3073398.48 0.0 18026268.0 0.0 11838528.0 0.0 869188.8 0.0 0.0 0.0 0.0 0.0 9013134.0 0.0 11838528.0 0.0 869188.8 0.0 0.0 0.0 9013134.0 0.0 11838528.0 0.0 869188.8 0.0 0.0 0.0 18026268.0 0.0 11838528.0 0.0 869188.8 0.0 0.0 0.0 0.0 217297.2 9954932.0 0.0 124169.82857142856 289729.60000000003 0.0 0.0 0.0 0.0 434594.4 0.0 0.0 0.0 0.0 0.0 869188.8 312 191.0 Tyrosine
199 245.09540384512243 0.897199 238754.36 0.0 394560.6 345688.95 453522.25 0.0 453522.25 0.0 0.0 394560.6 345688.95 453522.25 0.0 477508.72 0.0 151174.08333333334 394560.6 345688.95 238754.36 238754.36 0.0 789121.2 691377.9 907044.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 394560.6 691377.9 907044.5 0.0 0.0 0.0 0.0 0.0 394560.6 691377.9 907044.5 0.0 0.0 0.0 0.0 0.0 789121.2 691377.9 907044.5 0.0 0.0 0.0 0.0 0.0 0.0 172844.475 565388.5666666667 0.0 98768.27142857145 0.0 691377.9 0.0 0.0 0.0 0.0 691377.9 0.0 0.0 691377.9 0.0 0.0 131
200 216.0864982469651 0.89808595 11309.216 0.0 0.0 56546.08 0.0 0.0 0.0 0.0 0.0 0.0 56546.08 0.0 0.0 0.0 22618.432 0.0 0.0 56546.08 11309.216 11309.216 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113092.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113092.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113092.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113092.16 0.0 0.0 0.0 0.0 37697.386666666665 16156.022857142858 0.0 0.0 0.0 113092.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142
201 347.18092697074 0.89808595 46784.094 0.0 0.0 233920.47 0.0 0.0 0.0 0.0 0.0 0.0 233920.47 0.0 0.0 0.0 93568.188 0.0 0.0 233920.47 46784.094 46784.094 0.0 0.0 0.0 0.0 0.0 0.0 0.0 467840.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 467840.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 467840.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 467840.94 0.0 0.0 0.0 0.0 155946.98 66834.42 0.0 0.0 0.0 467840.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142
203 276.10775364147645 0.8988355 95869.712 0.0 104178.71 0.0 375169.85 0.0 375169.85 0.0 0.0 104178.71 0.0 375169.85 0.0 74863.95999999999 116875.464 125056.61666666664 104178.71 0.0 95869.712 95869.712 0.0 0.0 0.0 374319.8 0.0 0.0 208357.42 0.0 376019.9 0.0 0.0 104178.71 0.0 374319.8 0.0 0.0 0.0 188009.95 0.0 104178.71 0.0 374319.8 0.0 0.0 0.0 188009.95 0.0 0.0 0.0 374319.8 0.0 0.0 208357.42 0.0 376019.9 0.0 0.0 250113.2333333333 69452.47333333334 29765.345714285715 0.0 0.0 208357.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10
204 358.14290445174555 0.8988462 113839.74 0.0 569198.7 0.0 0.0 0.0 0.0 0.0 0.0 569198.7 0.0 0.0 0.0 227679.48 0.0 0.0 569198.7 0.0 113839.74 113839.74 0.0 1138397.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 569198.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 569198.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1138397.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 379465.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 249
202 166.08620940189235 0.90046716 1021350.2 0.0 3291285.25 0.0 1815465.75 0.0 1815465.75 0.0 0.0 3291285.25 0.0 1815465.75 0.0 2042700.4 0.0 605155.25 3291285.25 0.0 1021350.2 1021350.2 0.0 6582570.5 0.0 3630931.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3291285.25 0.0 3630931.5 0.0 0.0 0.0 0.0 0.0 3291285.25 0.0 3630931.5 0.0 0.0 0.0 0.0 0.0 6582570.5 0.0 3630931.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3404500.6666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 202.0 Phenylalanine
212 251.15018199261004 0.90046716 130677.34 0.0 467190.1 0.0 186196.6 0.0 186196.6 0.0 0.0 467190.1 0.0 186196.6 0.0 261354.68 0.0 62065.53333333333 467190.1 0.0 130677.34 130677.34 0.0 934380.2 0.0 372393.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 467190.1 0.0 372393.2 0.0 0.0 0.0 0.0 0.0 467190.1 0.0 372393.2 0.0 0.0 0.0 0.0 0.0 934380.2 0.0 372393.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 435591.1333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40
206 360.6872654567377 0.9020881 53767.84 0.0 0.0 0.0 268839.2 0.0 268839.2 0.0 0.0 0.0 0.0 268839.2 0.0 107535.68 0.0 89613.06666666667 0.0 0.0 53767.84 53767.84 0.0 0.0 0.0 537678.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537678.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537678.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537678.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 179226.13333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
205 254.1611236205091 0.9021898 1926914.3 0.0 5257422.0 744626.0 3632523.5 0.0 3632523.5 0.0 0.0 5257422.0 744626.0 3632523.5 0.0 3853828.6 0.0 1210841.1666666667 5257422.0 744626.0 1926914.3 1926914.3 0.0 10514844.0 1489252.0 7265047.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5257422.0 1489252.0 7265047.0 0.0 0.0 0.0 0.0 0.0 5257422.0 1489252.0 7265047.0 0.0 0.0 0.0 0.0 0.0 10514844.0 1489252.0 7265047.0 0.0 0.0 0.0 0.0 0.0 0.0 372313.0 5926630.333333333 0.0 212750.2857142857 0.0 1489252.0 0.0 0.0 0.0 0.0 1489252.0 0.0 0.0 1489252.0 0.0 0.0 17
207 275.1600737150524 0.9034461 104488.525 0.0 0.0 0.0 522442.625 0.0 522442.625 0.0 0.0 0.0 0.0 522442.625 0.0 142926.1 66050.95 174147.54166666666 0.0 0.0 104488.525 104488.525 0.0 0.0 0.0 714630.5 0.0 0.0 0.0 0.0 330254.75 0.0 0.0 0.0 0.0 714630.5 0.0 0.0 0.0 165127.375 0.0 0.0 0.0 714630.5 0.0 0.0 0.0 165127.375 0.0 0.0 0.0 714630.5 0.0 0.0 0.0 0.0 330254.75 0.0 0.0 348295.0833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85
208 332.1815496051357 0.90449554 30657.85 0.0 153289.25 0.0 0.0 0.0 0.0 0.0 0.0 153289.25 0.0 0.0 0.0 0.0 61315.7 0.0 153289.25 0.0 30657.85 30657.85 0.0 0.0 0.0 0.0 0.0 0.0 306578.5 0.0 0.0 0.0 0.0 153289.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153289.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306578.5 0.0 0.0 0.0 0.0 0.0 102192.83333333331 43796.92857142857 0.0 0.0 306578.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197
209 244.1178277824811 0.9048041 14769.756 0.0 0.0 0.0 73848.78 0.0 73848.78 0.0 0.0 0.0 0.0 73848.78 0.0 0.0 29539.512 24616.26 0.0 0.0 14769.756 14769.756 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147697.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73848.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73848.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147697.56 0.0 0.0 49232.52 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 0.0 373
210 275.10592908266534 0.9048041 30244.466 0.0 0.0 0.0 151222.33 0.0 151222.33 0.0 0.0 0.0 0.0 151222.33 0.0 0.0 60488.93199999999 50407.44333333333 0.0 0.0 30244.466 30244.466 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302444.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151222.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151222.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302444.66 0.0 0.0 100814.88666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85
211 493.2138002389023 0.9048041 19176.864 0.0 0.0 0.0 95884.32 0.0 95884.32 0.0 0.0 0.0 0.0 95884.32 0.0 0.0 38353.728 31961.44 0.0 0.0 19176.864 19176.864 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191768.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95884.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95884.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191768.64 0.0 0.0 63922.880000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108 211.0 N-Acetylmuramyl-L-alanyl-L-isoglutamine
213 355.1972776172281 0.9051109 66501.062 123948.46 0.0 0.0 208556.85 0.0 208556.85 0.0 123948.46 0.0 0.0 208556.85 0.0 133002.124 0.0 110835.10333333332 0.0 0.0 66501.062 66501.062 247896.92 0.0 0.0 417113.7 0.0 0.0 0.0 0.0 0.0 0.0 247896.92 0.0 0.0 417113.7 0.0 0.0 0.0 0.0 247896.92 0.0 0.0 417113.7 0.0 0.0 0.0 0.0 247896.92 0.0 0.0 417113.7 0.0 0.0 0.0 0.0 0.0 0.0 61974.23 139037.9 0.0 35413.845714285715 82632.30666666667 0.0 0.0 0.0 0.0 123948.46 0.0 0.0 247896.92 0.0 0.0 0.0 -1 213.0 Spectral Match to PyroGlu-Pro-Lys from NIST14
214 358.19699411500915 0.9051109 122590.108 137865.69 0.0 0.0 475084.85 0.0 475084.85 0.0 137865.69 0.0 0.0 475084.85 0.0 245180.216 0.0 204316.84666666668 0.0 0.0 122590.108 122590.108 275731.38 0.0 0.0 950169.7 0.0 0.0 0.0 0.0 0.0 0.0 275731.38 0.0 0.0 950169.7 0.0 0.0 0.0 0.0 275731.38 0.0 0.0 950169.7 0.0 0.0 0.0 0.0 275731.38 0.0 0.0 950169.7 0.0 0.0 0.0 0.0 0.0 0.0 68932.845 316723.23333333334 0.0 39390.19714285714 91910.46 0.0 0.0 0.0 0.0 137865.69 0.0 0.0 275731.38 0.0 0.0 0.0 27
215 484.2397230363367 0.9051109 248141.708 86149.14 0.0 0.0 1154559.4 0.0 1154559.4 0.0 86149.14 0.0 0.0 1154559.4 0.0 496283.4159999999 0.0 413569.5133333333 0.0 0.0 248141.708 248141.708 172298.28 0.0 0.0 2309118.8 0.0 0.0 0.0 0.0 0.0 0.0 172298.28 0.0 0.0 2309118.8 0.0 0.0 0.0 0.0 172298.28 0.0 0.0 2309118.8 0.0 0.0 0.0 0.0 172298.28 0.0 0.0 2309118.8 0.0 0.0 0.0 0.0 0.0 0.0 43074.57 769706.2666666666 0.0 24614.04 57432.76 0.0 0.0 0.0 0.0 86149.14 0.0 0.0 172298.28 0.0 0.0 0.0 -1
216 169.0971100466733 0.9067598 131582.83399999997 0.0 356175.295 0.0 301738.875 0.0 301738.875 0.0 0.0 356175.295 0.0 301738.875 0.0 243105.35 20060.318 100579.625 356175.295 0.0 131582.83399999997 131582.83399999997 0.0 612049.0 0.0 603477.75 0.0 0.0 100301.59 0.0 0.0 0.0 0.0 356175.295 0.0 603477.75 0.0 0.0 0.0 0.0 0.0 356175.295 0.0 603477.75 0.0 0.0 0.0 0.0 0.0 612049.0 0.0 603477.75 0.0 0.0 100301.59 0.0 0.0 0.0 0.0 405175.5833333333 33433.863333333335 14328.798571428571 0.0 0.0 100301.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40
218 261.1443622418607 0.9128341 125520.191 223685.125 403915.83 0.0 0.0 0.0 0.0 0.0 223685.125 403915.83 0.0 0.0 0.0 78782.088 172258.294 74561.70833333333 403915.83 0.0 125520.191 125520.191 0.0 393910.44 0.0 0.0 0.0 447370.25 413921.22 0.0 0.0 0.0 0.0 403915.83 0.0 0.0 0.0 447370.25 0.0 0.0 0.0 403915.83 0.0 0.0 0.0 447370.25 0.0 0.0 0.0 393910.44 0.0 0.0 0.0 447370.25 413921.22 0.0 0.0 0.0 111842.5625 131303.48 137973.74 123041.63857142856 149123.41666666666 0.0 413921.22 0.0 0.0 223685.125 0.0 0.0 0.0 0.0 0.0 447370.25 -1 218.0 Spectral Match to Ile-Met from NIST14
219 155.08145601559363 0.91371757 65940.05600000001 0.0 329700.28 0.0 0.0 0.0 0.0 0.0 0.0 329700.28 0.0 0.0 0.0 131880.11200000002 0.0 0.0 329700.28 0.0 65940.05600000001 65940.05600000001 0.0 659400.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329700.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329700.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 659400.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219800.18666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
220 663.2602369507391 0.91371757 60817.55 0.0 304087.75 0.0 0.0 0.0 0.0 0.0 0.0 304087.75 0.0 0.0 0.0 121635.1 0.0 0.0 304087.75 0.0 60817.55 60817.55 0.0 608175.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 304087.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 304087.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 608175.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202725.16666666663 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
224 328.08149228647613 0.92049664 28016.11 0.0 0.0 140080.55 0.0 0.0 0.0 0.0 0.0 0.0 140080.55 0.0 0.0 56032.22 0.0 0.0 0.0 140080.55 28016.11 28016.11 0.0 0.0 280161.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280161.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280161.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280161.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70040.275 0.0 0.0 40023.014285714286 0.0 280161.1 0.0 0.0 0.0 0.0 280161.1 0.0 0.0 280161.1 0.0 0.0 115
225 371.24017277317984 0.9273281 20167.922 0.0 0.0 0.0 0.0 100839.61 0.0 100839.61 0.0 0.0 0.0 0.0 100839.61 40335.844 0.0 33613.20333333333 0.0 0.0 20167.922 20167.922 0.0 0.0 0.0 0.0 201679.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201679.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201679.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201679.22 0.0 0.0 0.0 0.0 0.0 50419.805 0.0 0.0 28811.317142857144 67226.40666666666 0.0 0.0 0.0 0.0 0.0 0.0 201679.22 0.0 0.0 201679.22 0.0 -1
226 286.1283089006628 0.92822814 11673.357 0.0 0.0 58366.785 0.0 0.0 0.0 0.0 0.0 0.0 58366.785 0.0 0.0 0.0 23346.714 0.0 0.0 58366.785 11673.357 11673.357 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116733.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116733.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116733.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116733.57 0.0 0.0 0.0 0.0 38911.19 16676.22428571429 0.0 0.0 0.0 116733.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
227 247.10815706642163 0.94747293 39611.017 50322.895 147732.19 0.0 0.0 0.0 0.0 0.0 50322.895 147732.19 0.0 0.0 0.0 59092.876 20129.158 16774.298333333332 147732.19 0.0 39611.017 39611.017 0.0 295464.38 0.0 0.0 0.0 100645.79 0.0 0.0 0.0 0.0 0.0 147732.19 0.0 0.0 0.0 100645.79 0.0 0.0 0.0 147732.19 0.0 0.0 0.0 100645.79 0.0 0.0 0.0 295464.38 0.0 0.0 0.0 100645.79 0.0 0.0 0.0 0.0 25161.4475 98488.12666666666 0.0 14377.97 33548.596666666665 0.0 0.0 0.0 0.0 50322.895 0.0 0.0 0.0 0.0 0.0 100645.79 -1
228 326.2071792777674 0.9499882 42339.038 211695.19 0.0 0.0 0.0 0.0 0.0 0.0 211695.19 0.0 0.0 0.0 0.0 0.0 84678.076 70565.06333333334 0.0 0.0 42339.038 42339.038 0.0 0.0 0.0 0.0 0.0 423390.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423390.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423390.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423390.38 0.0 0.0 0.0 0.0 105847.595 0.0 0.0 60484.34 141130.12666666668 0.0 0.0 0.0 0.0 211695.19 0.0 0.0 0.0 0.0 0.0 423390.38 337
230 165.05455133624022 0.96057606 485479.679 88672.345 1363219.75 0.0 975506.3 0.0 975506.3 0.0 88672.345 1363219.75 0.0 975506.3 0.0 970959.358 0.0 354726.215 1363219.75 0.0 485479.679 485479.679 177344.69 2726439.5 0.0 1951012.6 0.0 0.0 0.0 0.0 0.0 0.0 177344.69 1363219.75 0.0 1951012.6 0.0 0.0 0.0 0.0 177344.69 1363219.75 0.0 1951012.6 0.0 0.0 0.0 0.0 177344.69 2726439.5 0.0 1951012.6 0.0 0.0 0.0 0.0 0.0 0.0 44336.1725 1559150.7 0.0 25334.95571428572 59114.89666666667 0.0 0.0 0.0 0.0 88672.345 0.0 0.0 177344.69 0.0 0.0 0.0 5 230.0 Spectral Match to L-Tyrosine from NIST14
232 316.100174879864 1.1278493 19501.54 0.0 0.0 0.0 97507.7 0.0 97507.7 0.0 0.0 0.0 0.0 97507.7 0.0 0.0 39003.08 32502.566666666666 0.0 0.0 19501.54 19501.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195015.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97507.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97507.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195015.4 0.0 0.0 65005.13333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 232.0 N-Acetylmuramic Acid
233 213.97971550938115 1.135419 15518.334 0.0 0.0 0.0 77591.67 0.0 77591.67 0.0 0.0 0.0 0.0 77591.67 0.0 31036.668 0.0 25863.89 0.0 0.0 15518.334 15518.334 0.0 0.0 0.0 155183.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155183.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155183.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155183.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51727.78 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 0.0 220
234 195.076317867742 1.1568359 19327.389000000003 96636.945 0.0 0.0 0.0 0.0 0.0 0.0 96636.945 0.0 0.0 0.0 0.0 38654.778000000006 0.0 32212.315 0.0 0.0 19327.389000000003 19327.389000000003 193273.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193273.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193273.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193273.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48318.4725 0.0 0.0 27610.55571428572 64424.630000000005 0.0 0.0 0.0 0.0 96636.945 0.0 0.0 193273.89 0.0 0.0 0.0 17
235 204.08660801127243 1.1583377 20537.077 0.0 0.0 102685.385 0.0 0.0 0.0 0.0 0.0 0.0 102685.385 0.0 0.0 41074.154 0.0 0.0 0.0 102685.385 20537.077 20537.077 0.0 0.0 205370.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205370.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205370.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205370.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51342.6925 0.0 0.0 29338.681428571428 0.0 205370.77 0.0 0.0 0.0 0.0 205370.77 0.0 0.0 205370.77 0.0 0.0 -1
236 212.10295810345025 1.1587956 32876.958 109856.54 0.0 0.0 0.0 54528.25 0.0 54528.25 109856.54 0.0 0.0 0.0 54528.25 65753.916 0.0 54794.92999999999 0.0 0.0 32876.958 32876.958 219713.08 0.0 0.0 0.0 109056.5 0.0 0.0 0.0 0.0 0.0 219713.08 0.0 0.0 0.0 109056.5 0.0 0.0 0.0 219713.08 0.0 0.0 0.0 109056.5 0.0 0.0 0.0 219713.08 0.0 0.0 0.0 109056.5 0.0 0.0 0.0 0.0 0.0 82192.39499999999 0.0 0.0 46967.08285714285 109589.86 0.0 0.0 0.0 0.0 109856.54 0.0 109056.5 219713.08 0.0 109056.5 0.0 17 236.0 3-Chloro-L-tyrosine - 30.0 eV
237 246.1335032002033 1.1690884 85550.406 103788.33 0.0 0.0 323963.7 0.0 323963.7 0.0 103788.33 0.0 0.0 323963.7 0.0 171100.812 0.0 142584.01 0.0 0.0 85550.406 85550.406 207576.66 0.0 0.0 647927.4 0.0 0.0 0.0 0.0 0.0 0.0 207576.66 0.0 0.0 647927.4 0.0 0.0 0.0 0.0 207576.66 0.0 0.0 647927.4 0.0 0.0 0.0 0.0 207576.66 0.0 0.0 647927.4 0.0 0.0 0.0 0.0 0.0 0.0 51894.165 215975.8 0.0 29653.808571428573 69192.22 0.0 0.0 0.0 0.0 103788.33 0.0 0.0 207576.66 0.0 0.0 0.0 10
238 264.14405302213265 1.1690884 160361.29499999998 374668.6 0.0 0.0 427137.875 0.0 427137.875 0.0 374668.6 0.0 0.0 427137.875 0.0 320722.59 0.0 267268.825 0.0 0.0 160361.29499999998 160361.29499999998 749337.2 0.0 0.0 854275.75 0.0 0.0 0.0 0.0 0.0 0.0 749337.2 0.0 0.0 854275.75 0.0 0.0 0.0 0.0 749337.2 0.0 0.0 854275.75 0.0 0.0 0.0 0.0 749337.2 0.0 0.0 854275.75 0.0 0.0 0.0 0.0 0.0 0.0 187334.3 284758.5833333333 0.0 107048.17142857144 249779.06666666665 0.0 0.0 0.0 0.0 374668.6 0.0 0.0 749337.2 0.0 0.0 0.0 10 238.0 Tanacetin
241 203.08147209407343 1.1813408 22094.208 0.0 0.0 0.0 110471.04 0.0 110471.04 0.0 0.0 0.0 0.0 110471.04 0.0 44188.416 0.0 36823.68 0.0 0.0 22094.208 22094.208 0.0 0.0 0.0 220942.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220942.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220942.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220942.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73647.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
242 276.14402352578327 1.183222 147974.2 303120.03 436750.97 0.0 0.0 0.0 0.0 0.0 303120.03 436750.97 0.0 0.0 0.0 295948.4 0.0 101040.01 436750.97 0.0 147974.2 147974.2 606240.06 873501.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 606240.06 436750.97 0.0 0.0 0.0 0.0 0.0 0.0 606240.06 436750.97 0.0 0.0 0.0 0.0 0.0 0.0 606240.06 873501.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151560.015 291167.3133333333 0.0 86605.72285714287 202080.02 0.0 0.0 0.0 0.0 303120.03 0.0 0.0 606240.06 0.0 0.0 0.0 10 242.0 Massbank:PR310825 N-Fructosyl isoleucine
243 166.05002842420942 1.1895638 18955.119 0.0 0.0 94775.595 0.0 0.0 0.0 0.0 0.0 0.0 94775.595 0.0 0.0 37910.238 0.0 0.0 0.0 94775.595 18955.119 18955.119 0.0 0.0 189551.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189551.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189551.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189551.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47387.7975 0.0 0.0 27078.74142857143 0.0 189551.19 0.0 0.0 0.0 0.0 189551.19 0.0 0.0 189551.19 0.0 0.0 115 243.0 Spectral Match to Phthalic anhydride from NIST14
244 184.0604007383453 1.1895638 64985.97 0.0 0.0 324929.85 0.0 0.0 0.0 0.0 0.0 0.0 324929.85 0.0 0.0 129971.94 0.0 0.0 0.0 324929.85 64985.97 64985.97 0.0 0.0 649859.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649859.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649859.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649859.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162464.925 0.0 0.0 92837.1 0.0 649859.7 0.0 0.0 0.0 0.0 649859.7 0.0 0.0 649859.7 0.0 0.0 115 244.0 4-PYRIDOXIC ACID
245 189.12333250441867 1.1927162 20502.217 0.0 102511.085 0.0 0.0 0.0 0.0 0.0 0.0 102511.085 0.0 0.0 0.0 0.0 41004.434 0.0 102511.085 0.0 20502.217 20502.217 0.0 0.0 0.0 0.0 0.0 0.0 205022.17 0.0 0.0 0.0 0.0 102511.085 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102511.085 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205022.17 0.0 0.0 0.0 0.0 0.0 68340.72333333334 29288.88142857143 0.0 0.0 205022.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 245.0 Massbank:KO003027 Gly-Leu|Glycyl-L-leucine|Glycyl-leucine
246 221.09202909242703 1.1967902 46425.544 0.0 0.0 0.0 232127.72 0.0 232127.72 0.0 0.0 0.0 0.0 232127.72 0.0 92851.088 0.0 77375.90666666666 0.0 0.0 46425.544 46425.544 0.0 0.0 0.0 464255.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 464255.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 464255.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 464255.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154751.81333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 326
247 275.1601408905134 1.2069104 159942.385 0.0 0.0 95456.03 505584.55 198671.345 505584.55 198671.345 0.0 0.0 95456.03 505584.55 198671.345 189036.342 130848.428 234751.965 0.0 95456.03 159942.385 159942.385 0.0 0.0 190912.06 527253.1 227016.55 0.0 0.0 0.0 483916.0 170326.14 0.0 0.0 190912.06 527253.1 227016.55 0.0 0.0 327121.07 0.0 0.0 190912.06 527253.1 227016.55 0.0 0.0 327121.07 0.0 0.0 190912.06 527253.1 227016.55 0.0 0.0 0.0 483916.0 170326.14 104482.1525 337056.36666666664 56775.380000000005 84036.39285714286 75672.18333333333 190912.06 0.0 0.0 170326.14 0.0 190912.06 227016.55 0.0 190912.06 227016.55 0.0 85
249 164.09302043591774 1.207787 48907.73299999999 0.0 162948.245 81590.42 0.0 0.0 0.0 0.0 0.0 162948.245 81590.42 0.0 0.0 63793.98999999999 34021.476 0.0 162948.245 81590.42 48907.73299999999 48907.73299999999 0.0 155789.11 163180.84 0.0 0.0 0.0 170107.38 0.0 0.0 0.0 0.0 162948.245 163180.84 0.0 0.0 0.0 0.0 0.0 0.0 162948.245 163180.84 0.0 0.0 0.0 0.0 0.0 0.0 155789.11 163180.84 0.0 0.0 0.0 170107.38 0.0 0.0 0.0 40795.21 51929.70333333333 56702.46 47612.60285714285 0.0 163180.84 170107.38 0.0 0.0 0.0 163180.84 0.0 0.0 163180.84 0.0 0.0 -1 249.0 Spectral Match to L-Tyrosine from NIST14
250 472.2385908310495 1.2083913 17268.583 0.0 86342.915 0.0 0.0 0.0 0.0 0.0 0.0 86342.915 0.0 0.0 0.0 0.0 34537.166 0.0 86342.915 0.0 17268.583 17268.583 0.0 0.0 0.0 0.0 0.0 0.0 172685.83 0.0 0.0 0.0 0.0 86342.915 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86342.915 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172685.83 0.0 0.0 0.0 0.0 0.0 57561.94333333333 24669.404285714285 0.0 0.0 172685.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152
251 231.13384503112616 1.2177604 69384.94499999999 57065.225 0.0 289859.5 0.0 0.0 0.0 0.0 57065.225 0.0 289859.5 0.0 0.0 115943.8 22826.09 19021.741666666665 0.0 289859.5 69384.94499999999 69384.94499999999 0.0 0.0 579719.0 0.0 0.0 114130.45 0.0 0.0 0.0 0.0 0.0 0.0 579719.0 0.0 0.0 114130.45 0.0 0.0 0.0 0.0 579719.0 0.0 0.0 114130.45 0.0 0.0 0.0 0.0 579719.0 0.0 0.0 114130.45 0.0 0.0 0.0 0.0 173462.3625 0.0 0.0 99121.35 38043.48333333333 579719.0 0.0 0.0 0.0 57065.225 579719.0 0.0 0.0 579719.0 0.0 114130.45 -1
252 277.0916746212808 1.2242445 17041.892 0.0 85209.46 0.0 0.0 0.0 0.0 0.0 0.0 85209.46 0.0 0.0 0.0 0.0 34083.784 0.0 85209.46 0.0 17041.892 17041.892 0.0 0.0 0.0 0.0 0.0 0.0 170418.92 0.0 0.0 0.0 0.0 85209.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85209.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170418.92 0.0 0.0 0.0 0.0 0.0 56806.30666666667 24345.56 0.0 0.0 170418.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147
253 358.1705989360046 1.2242445 13912.039 0.0 69560.195 0.0 0.0 0.0 0.0 0.0 0.0 69560.195 0.0 0.0 0.0 0.0 27824.078 0.0 69560.195 0.0 13912.039 13912.039 0.0 0.0 0.0 0.0 0.0 0.0 139120.39 0.0 0.0 0.0 0.0 69560.195 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69560.195 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139120.39 0.0 0.0 0.0 0.0 0.0 46373.46333333334 19874.34142857143 0.0 0.0 139120.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147
254 544.2597656505699 1.2393703 13650.778 0.0 0.0 0.0 68253.89 0.0 68253.89 0.0 0.0 0.0 0.0 68253.89 0.0 0.0 27301.556 22751.296666666665 0.0 0.0 13650.778 13650.778 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136507.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68253.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68253.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136507.78 0.0 0.0 45502.59333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152
255 363.1260462319723 1.2401446 98409.92 0.0 492049.6 0.0 0.0 0.0 0.0 0.0 0.0 492049.6 0.0 0.0 0.0 0.0 196819.84 0.0 492049.6 0.0 98409.92 98409.92 0.0 0.0 0.0 0.0 0.0 0.0 984099.2 0.0 0.0 0.0 0.0 492049.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 492049.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 984099.2 0.0 0.0 0.0 0.0 0.0 328033.06666666665 140585.6 0.0 0.0 984099.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
256 558.1823450341071 1.2401446 17959.411 0.0 89797.055 0.0 0.0 0.0 0.0 0.0 0.0 89797.055 0.0 0.0 0.0 0.0 35918.822 0.0 89797.055 0.0 17959.411 17959.411 0.0 0.0 0.0 0.0 0.0 0.0 179594.11 0.0 0.0 0.0 0.0 89797.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89797.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 179594.11 0.0 0.0 0.0 0.0 0.0 59864.70333333333 25656.301428571427 0.0 0.0 179594.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
257 253.11586387683707 1.251047 44667.212 0.0 0.0 223336.06 0.0 0.0 0.0 0.0 0.0 0.0 223336.06 0.0 0.0 89334.424 0.0 0.0 0.0 223336.06 44667.212 44667.212 0.0 0.0 446672.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 446672.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 446672.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 446672.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111668.03 0.0 0.0 63810.30285714286 0.0 446672.12 0.0 0.0 0.0 0.0 446672.12 0.0 0.0 446672.12 0.0 0.0 -1
258 376.18981945243047 1.251047 8138.182000000001 0.0 0.0 40690.91 0.0 0.0 0.0 0.0 0.0 0.0 40690.91 0.0 0.0 16276.364 0.0 0.0 0.0 40690.91 8138.182000000001 8138.182000000001 0.0 0.0 81381.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81381.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81381.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81381.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20345.455 0.0 0.0 11625.974285714286 0.0 81381.82 0.0 0.0 0.0 0.0 81381.82 0.0 0.0 81381.82 0.0 0.0 131
259 215.13898540258745 1.2639816 58932.825 0.0 89662.475 0.0 205001.65 0.0 205001.65 0.0 0.0 89662.475 0.0 205001.65 0.0 0.0 117865.65 68333.88333333333 89662.475 0.0 58932.825 58932.825 0.0 0.0 0.0 0.0 0.0 0.0 179324.95 0.0 410003.3 0.0 0.0 89662.475 0.0 0.0 0.0 0.0 0.0 205001.65 0.0 89662.475 0.0 0.0 0.0 0.0 0.0 205001.65 0.0 0.0 0.0 0.0 0.0 0.0 179324.95 0.0 410003.3 0.0 0.0 136667.76666666666 59774.98333333334 25617.85 0.0 0.0 179324.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50
260 186.1237959803165 1.2696793 9582.476 0.0 0.0 0.0 0.0 47912.38 0.0 47912.38 0.0 0.0 0.0 0.0 47912.38 19164.952 0.0 15970.793333333331 0.0 0.0 9582.476 9582.476 0.0 0.0 0.0 0.0 95824.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95824.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95824.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95824.76 0.0 0.0 0.0 0.0 0.0 23956.19 0.0 0.0 13689.251428571428 31941.586666666662 0.0 0.0 0.0 0.0 0.0 0.0 95824.76 0.0 0.0 95824.76 0.0 -1
261 435.1471507664032 1.2729919 34214.081 0.0 0.0 0.0 171070.405 0.0 171070.405 0.0 0.0 0.0 0.0 171070.405 0.0 49239.824 19188.338 57023.46833333333 0.0 0.0 34214.081 34214.081 0.0 0.0 0.0 246199.12 0.0 0.0 0.0 0.0 95941.69 0.0 0.0 0.0 0.0 246199.12 0.0 0.0 0.0 47970.845 0.0 0.0 0.0 246199.12 0.0 0.0 0.0 47970.845 0.0 0.0 0.0 246199.12 0.0 0.0 0.0 0.0 95941.69 0.0 0.0 114046.93666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
262 199.1076792143135 1.2735584 229609.18600000005 216325.65 490075.875 109701.375 331943.03 0.0 331943.03 0.0 216325.65 490075.875 109701.375 331943.03 0.0 459218.3720000001 0.0 182756.22666666668 490075.875 109701.375 229609.18600000005 229609.18600000005 432651.3 980151.75 219402.75 663886.06 0.0 0.0 0.0 0.0 0.0 0.0 432651.3 490075.875 219402.75 663886.06 0.0 0.0 0.0 0.0 432651.3 490075.875 219402.75 663886.06 0.0 0.0 0.0 0.0 432651.3 980151.75 219402.75 663886.06 0.0 0.0 0.0 0.0 0.0 0.0 163013.5125 548012.6033333334 0.0 93150.57857142856 144217.1 219402.75 0.0 0.0 0.0 216325.65 219402.75 0.0 432651.3 219402.75 0.0 0.0 115 262.0 cyclo-(Thr-Pro)
263 238.06848049368008 1.2802078 57656.08 0.0 0.0 288280.4 0.0 0.0 0.0 0.0 0.0 0.0 288280.4 0.0 0.0 0.0 115312.16 0.0 0.0 288280.4 57656.08 57656.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 576560.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 576560.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 576560.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 576560.8 0.0 0.0 0.0 0.0 192186.93333333332 82365.82857142857 0.0 0.0 0.0 576560.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
265 453.1473998241754 1.2960546 14804.878 0.0 0.0 74024.39 0.0 0.0 0.0 0.0 0.0 0.0 74024.39 0.0 0.0 0.0 29609.756 0.0 0.0 74024.39 14804.878 14804.878 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148048.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148048.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148048.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148048.78 0.0 0.0 0.0 0.0 49349.59333333333 21149.825714285715 0.0 0.0 0.0 148048.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
266 247.1287827366674 1.2970347 519046.313 0.0 2333155.5 135502.015 126574.05 0.0 126574.05 0.0 0.0 2333155.5 135502.015 126574.05 0.0 1038092.626 0.0 42191.35 2333155.5 135502.015 519046.313 519046.313 0.0 4666311.0 271004.03 253148.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2333155.5 271004.03 253148.1 0.0 0.0 0.0 0.0 0.0 2333155.5 271004.03 253148.1 0.0 0.0 0.0 0.0 0.0 4666311.0 271004.03 253148.1 0.0 0.0 0.0 0.0 0.0 0.0 67751.0075 1639819.7 0.0 38714.86142857144 0.0 271004.03 0.0 0.0 0.0 0.0 271004.03 0.0 0.0 271004.03 0.0 0.0 61 266.0 ReSpect:PM017302 gamma-L-Glutamyl-L-valine
267 160.07565156568094 1.297111 26085.442000000003 130427.21 0.0 0.0 0.0 0.0 0.0 0.0 130427.21 0.0 0.0 0.0 0.0 52170.884000000005 0.0 43475.73666666667 0.0 0.0 26085.442000000003 26085.442000000003 260854.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260854.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260854.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260854.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65213.605 0.0 0.0 37264.91714285714 86951.47333333334 0.0 0.0 0.0 0.0 130427.21 0.0 0.0 260854.42 0.0 0.0 0.0 -1
268 212.091737698504 1.3028103 15193.538 0.0 75967.69 0.0 0.0 0.0 0.0 0.0 0.0 75967.69 0.0 0.0 0.0 30387.076 0.0 0.0 75967.69 0.0 15193.538 15193.538 0.0 151935.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75967.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75967.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151935.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50645.12666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
269 230.1022144074504 1.3028103 12335.8914 0.0 61679.457 0.0 0.0 0.0 0.0 0.0 0.0 61679.457 0.0 0.0 0.0 24671.7828 0.0 0.0 61679.457 0.0 12335.8914 12335.8914 0.0 123358.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61679.457 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61679.457 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123358.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41119.638 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
270 491.2168086353122 1.3028103 10720.238 0.0 53601.19 0.0 0.0 0.0 0.0 0.0 0.0 53601.19 0.0 0.0 0.0 21440.476 0.0 0.0 53601.19 0.0 10720.238 10720.238 0.0 107202.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53601.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53601.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107202.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35734.12666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
271 581.2184377118267 1.3028103 106248.72 0.0 531243.6 0.0 0.0 0.0 0.0 0.0 0.0 531243.6 0.0 0.0 0.0 212497.44 0.0 0.0 531243.6 0.0 106248.72 106248.72 0.0 1062487.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 531243.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 531243.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1062487.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 354162.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97
272 248.13219902626827 1.303628 61383.165 0.0 306915.825 0.0 0.0 0.0 0.0 0.0 0.0 306915.825 0.0 0.0 0.0 94973.406 27792.924 0.0 306915.825 0.0 61383.165 61383.165 0.0 474867.03 0.0 0.0 0.0 0.0 138964.62 0.0 0.0 0.0 0.0 306915.825 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306915.825 0.0 0.0 0.0 0.0 0.0 0.0 0.0 474867.03 0.0 0.0 0.0 0.0 138964.62 0.0 0.0 0.0 0.0 158289.01 46321.54 19852.08857142857 0.0 0.0 138964.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 272.0 histamine-C7:0
273 297.1080016427688 1.3058163 15282.662 0.0 0.0 0.0 76413.31 0.0 76413.31 0.0 0.0 0.0 0.0 76413.31 0.0 30565.324 0.0 25471.103333333333 0.0 0.0 15282.662 15282.662 0.0 0.0 0.0 152826.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152826.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152826.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152826.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50942.206666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
274 216.0865309982128 1.3118367 31192.662 0.0 0.0 155963.31 0.0 0.0 0.0 0.0 0.0 0.0 155963.31 0.0 0.0 0.0 62385.324 0.0 0.0 155963.31 31192.662 31192.662 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311926.62 0.0 0.0 0.0 0.0 103975.54 44560.94571428571 0.0 0.0 0.0 311926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142
275 290.15343917939583 1.313745 14444.560999999998 0.0 0.0 72222.805 0.0 0.0 0.0 0.0 0.0 0.0 72222.805 0.0 0.0 28889.122 0.0 0.0 0.0 72222.805 14444.560999999998 14444.560999999998 0.0 0.0 144445.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144445.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144445.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144445.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36111.4025 0.0 0.0 20635.08714285714 0.0 144445.61 0.0 0.0 0.0 0.0 144445.61 0.0 0.0 144445.61 0.0 0.0 131
276 245.0953812524978 1.3183814 101344.506 0.0 506722.53 0.0 0.0 0.0 0.0 0.0 0.0 506722.53 0.0 0.0 0.0 202689.012 0.0 0.0 506722.53 0.0 101344.506 101344.506 0.0 1013445.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506722.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506722.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1013445.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337815.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131
277 267.07732558940546 1.3228424 216073.17400000003 77900.525 84846.765 408967.55 289524.5 219126.53 289524.5 219126.53 77900.525 84846.765 408967.55 289524.5 219126.53 432146.34800000006 0.0 195517.185 84846.765 408967.55 216073.17400000003 216073.17400000003 155801.05 169693.53 817935.1 579049.0 438253.06 0.0 0.0 0.0 0.0 0.0 155801.05 84846.765 817935.1 579049.0 438253.06 0.0 0.0 0.0 155801.05 84846.765 817935.1 579049.0 438253.06 0.0 0.0 0.0 155801.05 169693.53 817935.1 579049.0 438253.06 0.0 0.0 0.0 0.0 0.0 352997.3025 249580.84333333332 0.0 201712.7442857143 198018.03666666665 817935.1 0.0 0.0 0.0 77900.525 817935.1 438253.06 155801.05 817935.1 438253.06 0.0 240
280 181.0971103874116 1.3255415 196178.404 0.0 0.0 568861.3 412030.72 0.0 412030.72 0.0 0.0 0.0 568861.3 412030.72 0.0 392356.808 0.0 137343.57333333333 0.0 568861.3 196178.404 196178.404 0.0 0.0 1137722.6 824061.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1137722.6 824061.44 0.0 0.0 0.0 0.0 0.0 0.0 1137722.6 824061.44 0.0 0.0 0.0 0.0 0.0 0.0 1137722.6 824061.44 0.0 0.0 0.0 0.0 0.0 0.0 284430.65 274687.14666666667 0.0 162531.80000000002 0.0 1137722.6 0.0 0.0 0.0 0.0 1137722.6 0.0 0.0 1137722.6 0.0 0.0 131
279 511.1652045983153 1.3293884 27519.822 0.0 0.0 137599.11 0.0 0.0 0.0 0.0 0.0 0.0 137599.11 0.0 0.0 55039.64399999999 0.0 0.0 0.0 137599.11 27519.822 27519.822 0.0 0.0 275198.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 275198.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 275198.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 275198.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68799.555 0.0 0.0 39314.03142857143 0.0 275198.22 0.0 0.0 0.0 0.0 275198.22 0.0 0.0 275198.22 0.0 0.0 240
281 419.1656236547935 1.3337487 20112.353 0.0 100561.765 0.0 0.0 0.0 0.0 0.0 0.0 100561.765 0.0 0.0 0.0 40224.706 0.0 0.0 100561.765 0.0 20112.353 20112.353 0.0 201123.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100561.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100561.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201123.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67041.17666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97 281.0 rhaponticin
282 217.15456317041912 1.3407454 434731.15 2173655.75 0.0 0.0 0.0 0.0 0.0 0.0 2173655.75 0.0 0.0 0.0 0.0 0.0 869462.3 724551.9166666666 0.0 0.0 434731.15 434731.15 0.0 0.0 0.0 0.0 0.0 4347311.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4347311.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4347311.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4347311.5 0.0 0.0 0.0 0.0 1086827.875 0.0 0.0 621044.5 1449103.8333333333 0.0 0.0 0.0 0.0 2173655.75 0.0 0.0 0.0 0.0 0.0 4347311.5 7 282.0 Spectral Match to Val-Val from NIST14
283 218.15786555936464 1.3407454 43325.006 216625.03 0.0 0.0 0.0 0.0 0.0 0.0 216625.03 0.0 0.0 0.0 0.0 0.0 86650.012 72208.34333333334 0.0 0.0 43325.006 43325.006 0.0 0.0 0.0 0.0 0.0 433250.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433250.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433250.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433250.06 0.0 0.0 0.0 0.0 108312.515 0.0 0.0 61892.86571428571 144416.68666666668 0.0 0.0 0.0 0.0 216625.03 0.0 0.0 0.0 0.0 0.0 433250.06 -1 283.0 Spectral Match to Val-Val from NIST14
284 433.3017493887882 1.3407454 10055.674 50278.37 0.0 0.0 0.0 0.0 0.0 0.0 50278.37 0.0 0.0 0.0 0.0 0.0 20111.348 16759.45666666667 0.0 0.0 10055.674 10055.674 0.0 0.0 0.0 0.0 0.0 100556.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100556.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100556.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100556.74 0.0 0.0 0.0 0.0 25139.185 0.0 0.0 14365.248571428572 33518.91333333334 0.0 0.0 0.0 0.0 50278.37 0.0 0.0 0.0 0.0 0.0 100556.74 7 284.0 Spectral Match to Val-Val from NIST14
285 312.1916856522082 1.3489437 32504.864 0.0 0.0 0.0 88446.15 74078.17 88446.15 74078.17 0.0 0.0 0.0 88446.15 74078.17 0.0 65009.728 54174.77333333334 0.0 0.0 32504.864 32504.864 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176892.3 148156.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162524.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162524.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176892.3 148156.34 0.0 58964.1 49385.44666666666 21165.191428571427 0.0 0.0 0.0 0.0 148156.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337 285.0 Val-pro-pro
288 284.1104355585298 1.3666373 34058.397 0.0 0.0 0.0 170291.985 0.0 170291.985 0.0 0.0 0.0 0.0 170291.985 0.0 0.0 68116.794 56763.995 0.0 0.0 34058.397 34058.397 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340583.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170291.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170291.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340583.97 0.0 0.0 113527.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
289 158.1175467166424 1.3687111 34012.675 0.0 170063.375 0.0 0.0 0.0 0.0 0.0 0.0 170063.375 0.0 0.0 0.0 0.0 68025.35 0.0 170063.375 0.0 34012.675 34012.675 0.0 0.0 0.0 0.0 0.0 0.0 340126.75 0.0 0.0 0.0 0.0 170063.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170063.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340126.75 0.0 0.0 0.0 0.0 0.0 113375.58333333331 48589.53571428572 0.0 0.0 340126.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
290 281.11316781023226 1.3687111 12676.294 0.0 63381.47 0.0 0.0 0.0 0.0 0.0 0.0 63381.47 0.0 0.0 0.0 0.0 25352.588 0.0 63381.47 0.0 12676.294 12676.294 0.0 0.0 0.0 0.0 0.0 0.0 126762.94 0.0 0.0 0.0 0.0 63381.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63381.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126762.94 0.0 0.0 0.0 0.0 0.0 42254.31333333333 18108.99142857143 0.0 0.0 126762.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 290.0 Spectral Match to Phe-Leu from NIST14
291 310.12834360415604 1.3800861 140775.88999999998 239119.08 135106.9 0.0 329653.47 0.0 329653.47 0.0 239119.08 135106.9 0.0 329653.47 0.0 281551.78 0.0 189590.85 135106.9 0.0 140775.88999999998 140775.88999999998 478238.16 270213.8 0.0 659306.94 0.0 0.0 0.0 0.0 0.0 0.0 478238.16 135106.9 0.0 659306.94 0.0 0.0 0.0 0.0 478238.16 135106.9 0.0 659306.94 0.0 0.0 0.0 0.0 478238.16 270213.8 0.0 659306.94 0.0 0.0 0.0 0.0 0.0 0.0 119559.54 309840.24666666664 0.0 68319.73714285714 159412.72 0.0 0.0 0.0 0.0 239119.08 0.0 0.0 478238.16 0.0 0.0 0.0 10
292 279.10076966160574 1.3803209 51187.066 0.0 255935.33 0.0 0.0 0.0 0.0 0.0 0.0 255935.33 0.0 0.0 0.0 102374.132 0.0 0.0 255935.33 0.0 51187.066 51187.066 0.0 511870.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255935.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255935.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 511870.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170623.55333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 292.0 Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14
293 328.1388981764559 1.3875148 324223.855 504820.5 438031.05 0.0 603219.5 75048.225 603219.5 75048.225 504820.5 438031.05 0.0 603219.5 75048.225 618428.42 30019.29 394362.7416666667 438031.05 0.0 324223.855 324223.855 1009641.0 876062.1 0.0 1206439.0 0.0 0.0 0.0 0.0 0.0 150096.45 1009641.0 438031.05 0.0 1206439.0 0.0 0.0 0.0 75048.225 1009641.0 438031.05 0.0 1206439.0 0.0 0.0 0.0 75048.225 1009641.0 876062.1 0.0 1206439.0 0.0 0.0 0.0 0.0 0.0 150096.45 252410.25 694167.0333333333 50032.15 165676.77857142856 336547.0 0.0 0.0 0.0 150096.45 504820.5 0.0 0.0 1009641.0 0.0 0.0 0.0 10 293.0 NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]
294 244.1179131486347 1.4135163 76296.81 0.0 0.0 0.0 381484.05 0.0 381484.05 0.0 0.0 0.0 0.0 381484.05 0.0 0.0 152593.62 127161.35 0.0 0.0 76296.81 76296.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 762968.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 381484.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 381484.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 762968.1 0.0 0.0 254322.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373
296 222.07948761486435 1.4334491 20969.3 0.0 104846.5 0.0 0.0 0.0 0.0 0.0 0.0 104846.5 0.0 0.0 0.0 0.0 41938.6 0.0 104846.5 0.0 20969.3 20969.3 0.0 0.0 0.0 0.0 0.0 0.0 209693.0 0.0 0.0 0.0 0.0 104846.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104846.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209693.0 0.0 0.0 0.0 0.0 0.0 69897.66666666667 29956.14285714286 0.0 0.0 209693.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
295 169.0971350640875 1.4381056 665118.64 0.0 1453310.1 347603.0 1524680.1 0.0 1524680.1 0.0 0.0 1453310.1 347603.0 1524680.1 0.0 1330237.28 0.0 508226.7 1453310.1 347603.0 665118.64 665118.64 0.0 2906620.2 695206.0 3049360.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1453310.1 695206.0 3049360.2 0.0 0.0 0.0 0.0 0.0 1453310.1 695206.0 3049360.2 0.0 0.0 0.0 0.0 0.0 2906620.2 695206.0 3049360.2 0.0 0.0 0.0 0.0 0.0 0.0 173801.5 1985326.8 0.0 99315.14285714286 0.0 695206.0 0.0 0.0 0.0 0.0 695206.0 0.0 0.0 695206.0 0.0 0.0 40
297 310.04823547307683 1.4449244 33232.14399999999 0.0 87148.54 0.0 79012.18 0.0 79012.18 0.0 0.0 87148.54 0.0 79012.18 0.0 66464.28799999999 0.0 26337.39333333333 87148.54 0.0 33232.14399999999 33232.14399999999 0.0 174297.08 0.0 158024.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87148.54 0.0 158024.36 0.0 0.0 0.0 0.0 0.0 87148.54 0.0 158024.36 0.0 0.0 0.0 0.0 0.0 174297.08 0.0 158024.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110773.81333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10
298 170.1004251705184 1.447195 19017.492 0.0 0.0 0.0 95087.46 0.0 95087.46 0.0 0.0 0.0 0.0 95087.46 0.0 38034.984 0.0 31695.820000000003 0.0 0.0 19017.492 19017.492 0.0 0.0 0.0 190174.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190174.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190174.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190174.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63391.64000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40
299 237.08692944527508 1.447195 23643.358 0.0 0.0 0.0 118216.79 0.0 118216.79 0.0 0.0 0.0 0.0 118216.79 0.0 47286.716 0.0 39405.596666666665 0.0 0.0 23643.358 23643.358 0.0 0.0 0.0 236433.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 236433.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 236433.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 236433.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78811.19333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317 299.0 Formylkynurenine
300 484.2036150261281 1.447195 34367.175 0.0 0.0 0.0 171835.875 0.0 171835.875 0.0 0.0 0.0 0.0 171835.875 0.0 68734.35 0.0 57278.625 0.0 0.0 34367.175 34367.175 0.0 0.0 0.0 343671.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 343671.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 343671.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 343671.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114557.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
302 441.1864493775068 1.4579178 15189.906 0.0 75949.53 0.0 0.0 0.0 0.0 0.0 0.0 75949.53 0.0 0.0 0.0 30379.812 0.0 0.0 75949.53 0.0 15189.906 15189.906 0.0 151899.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75949.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75949.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151899.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50633.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
304 311.07285707681683 1.4736158 37724.19 0.0 188620.95 0.0 0.0 0.0 0.0 0.0 0.0 188620.95 0.0 0.0 0.0 75448.38 0.0 0.0 188620.95 0.0 37724.19 37724.19 0.0 377241.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188620.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188620.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377241.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125747.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 304.0 Massbank:PR311057 Glutamyltyrosine
309 311.1235823607378 1.4891493 166060.84 0.0 830304.2 0.0 0.0 0.0 0.0 0.0 0.0 830304.2 0.0 0.0 0.0 332121.68 0.0 0.0 830304.2 0.0 166060.84 166060.84 0.0 1660608.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 830304.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 830304.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1660608.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 553536.1333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 309.0 Massbank:PR311057 Glutamyltyrosine
306 312.127244702668 1.4891493 18426.233 0.0 92131.165 0.0 0.0 0.0 0.0 0.0 0.0 92131.165 0.0 0.0 0.0 36852.466 0.0 0.0 92131.165 0.0 18426.233 18426.233 0.0 184262.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92131.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92131.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184262.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61420.776666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
307 249.08444795494444 1.4958141 73203.835 93854.775 0.0 0.0 272164.4 0.0 272164.4 0.0 93854.775 0.0 0.0 272164.4 0.0 146407.67 0.0 122006.39166666668 0.0 0.0 73203.835 73203.835 187709.55 0.0 0.0 544328.8 0.0 0.0 0.0 0.0 0.0 0.0 187709.55 0.0 0.0 544328.8 0.0 0.0 0.0 0.0 187709.55 0.0 0.0 544328.8 0.0 0.0 0.0 0.0 187709.55 0.0 0.0 544328.8 0.0 0.0 0.0 0.0 0.0 0.0 46927.3875 181442.93333333332 0.0 26815.65 62569.85 0.0 0.0 0.0 0.0 93854.775 0.0 0.0 187709.55 0.0 0.0 0.0 -1
310 392.1813522633025 1.4958141 468421.6 1438524.1 0.0 0.0 903583.9 0.0 903583.9 0.0 1438524.1 0.0 0.0 903583.9 0.0 936843.2 0.0 780702.6666666666 0.0 0.0 468421.6 468421.6 2877048.2 0.0 0.0 1807167.8 0.0 0.0 0.0 0.0 0.0 0.0 2877048.2 0.0 0.0 1807167.8 0.0 0.0 0.0 0.0 2877048.2 0.0 0.0 1807167.8 0.0 0.0 0.0 0.0 2877048.2 0.0 0.0 1807167.8 0.0 0.0 0.0 0.0 0.0 0.0 719262.05 602389.2666666667 0.0 411006.8857142857 959016.0666666668 0.0 0.0 0.0 0.0 1438524.1 0.0 0.0 2877048.2 0.0 0.0 0.0 27 310.0 Phe-C15:0
308 453.1975700529198 1.4958141 95185.491 268990.97 0.0 0.0 206936.485 0.0 206936.485 0.0 268990.97 0.0 0.0 206936.485 0.0 190370.982 0.0 158642.485 0.0 0.0 95185.491 95185.491 537981.94 0.0 0.0 413872.97 0.0 0.0 0.0 0.0 0.0 0.0 537981.94 0.0 0.0 413872.97 0.0 0.0 0.0 0.0 537981.94 0.0 0.0 413872.97 0.0 0.0 0.0 0.0 537981.94 0.0 0.0 413872.97 0.0 0.0 0.0 0.0 0.0 0.0 134495.485 137957.65666666665 0.0 76854.56285714285 179327.31333333332 0.0 0.0 0.0 0.0 268990.97 0.0 0.0 537981.94 0.0 0.0 0.0 50
311 475.1794959923391 1.5037661 78430.45999999999 212228.08 0.0 0.0 179924.22 0.0 179924.22 0.0 212228.08 0.0 0.0 179924.22 0.0 156860.91999999998 0.0 130717.43333333332 0.0 0.0 78430.45999999999 78430.45999999999 424456.16 0.0 0.0 359848.44 0.0 0.0 0.0 0.0 0.0 0.0 424456.16 0.0 0.0 359848.44 0.0 0.0 0.0 0.0 424456.16 0.0 0.0 359848.44 0.0 0.0 0.0 0.0 424456.16 0.0 0.0 359848.44 0.0 0.0 0.0 0.0 0.0 0.0 106114.04 119949.48 0.0 60636.59428571428 141485.38666666666 0.0 0.0 0.0 0.0 212228.08 0.0 0.0 424456.16 0.0 0.0 0.0 38
312 275.10593322654694 1.507486 91011.71 0.0 0.0 0.0 455058.55 0.0 455058.55 0.0 0.0 0.0 0.0 455058.55 0.0 0.0 182023.42 151686.18333333332 0.0 0.0 91011.71 91011.71 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 910117.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455058.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455058.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 910117.1 0.0 0.0 303372.36666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
313 227.10260511556007 1.5090741 372072.88 0.0 0.0 0.0 1860364.4 0.0 1860364.4 0.0 0.0 0.0 0.0 1860364.4 0.0 744145.76 0.0 620121.4666666667 0.0 0.0 372072.88 372072.88 0.0 0.0 0.0 3720728.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3720728.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3720728.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3720728.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1240242.933333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50 313.0 Spectral Match to PyroGlu-Pro from NIST14
314 298.1283925237252 1.5116253 84296.472 258573.67 0.0 0.0 162908.69 0.0 162908.69 0.0 258573.67 0.0 0.0 162908.69 0.0 168592.944 0.0 140494.12 0.0 0.0 84296.472 84296.472 517147.34 0.0 0.0 325817.38 0.0 0.0 0.0 0.0 0.0 0.0 517147.34 0.0 0.0 325817.38 0.0 0.0 0.0 0.0 517147.34 0.0 0.0 325817.38 0.0 0.0 0.0 0.0 517147.34 0.0 0.0 325817.38 0.0 0.0 0.0 0.0 0.0 0.0 129286.835 108605.79333333332 0.0 73878.19142857143 172382.44666666668 0.0 0.0 0.0 0.0 258573.67 0.0 0.0 517147.34 0.0 0.0 0.0 -1
315 260.1603562456148 1.5276383 16781.344 83906.72 0.0 0.0 0.0 0.0 0.0 0.0 83906.72 0.0 0.0 0.0 0.0 0.0 33562.688 27968.906666666662 0.0 0.0 16781.344 16781.344 0.0 0.0 0.0 0.0 0.0 167813.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 167813.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 167813.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 167813.44 0.0 0.0 0.0 0.0 41953.36 0.0 0.0 23973.34857142857 55937.81333333333 0.0 0.0 0.0 0.0 83906.72 0.0 0.0 0.0 0.0 0.0 167813.44 -1 315.0 Massbank:PR311045 Glutamylleucine
316 280.11791110760817 1.5406963 18360.831 0.0 0.0 0.0 91804.155 0.0 91804.155 0.0 0.0 0.0 0.0 91804.155 0.0 36721.662 0.0 30601.385 0.0 0.0 18360.831 18360.831 0.0 0.0 0.0 183608.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183608.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183608.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183608.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61202.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10
317 209.0920464074765 1.5457044 429015.794 0.0 1745818.0 0.0 399260.97 0.0 399260.97 0.0 0.0 1745818.0 0.0 399260.97 0.0 858031.5879999999 0.0 133086.99 1745818.0 0.0 429015.794 429015.794 0.0 3491636.0 0.0 798521.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1745818.0 0.0 798521.94 0.0 0.0 0.0 0.0 0.0 1745818.0 0.0 798521.94 0.0 0.0 0.0 0.0 0.0 3491636.0 0.0 798521.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1430052.6466666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317 317.0 L-kynurenine CollisionEnergy:205060
318 221.0920935564129 1.548024 22092.508 0.0 110462.54 0.0 0.0 0.0 0.0 0.0 0.0 110462.54 0.0 0.0 0.0 0.0 44185.016 0.0 110462.54 0.0 22092.508 22092.508 0.0 0.0 0.0 0.0 0.0 0.0 220925.08 0.0 0.0 0.0 0.0 110462.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110462.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220925.08 0.0 0.0 0.0 0.0 0.0 73641.69333333333 31560.725714285712 0.0 0.0 220925.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 326
319 295.12879101421834 1.548024 12264.597 0.0 61322.985 0.0 0.0 0.0 0.0 0.0 0.0 61322.985 0.0 0.0 0.0 0.0 24529.194 0.0 61322.985 0.0 12264.597 12264.597 0.0 0.0 0.0 0.0 0.0 0.0 122645.97 0.0 0.0 0.0 0.0 61322.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61322.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122645.97 0.0 0.0 0.0 0.0 0.0 40881.99 17520.852857142858 0.0 0.0 122645.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 319.0 Spectral Match to Phe-Met from NIST14
320 242.1000093177104 1.5480789 66424.026 0.0 0.0 178430.75 67795.93 85893.45 67795.93 85893.45 0.0 0.0 178430.75 67795.93 85893.45 132848.052 0.0 51229.793333333335 0.0 178430.75 66424.026 66424.026 0.0 0.0 356861.5 135591.86 171786.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356861.5 135591.86 171786.9 0.0 0.0 0.0 0.0 0.0 356861.5 135591.86 171786.9 0.0 0.0 0.0 0.0 0.0 356861.5 135591.86 171786.9 0.0 0.0 0.0 0.0 0.0 132162.1 45197.28666666666 0.0 75521.2 57262.3 356861.5 0.0 0.0 0.0 0.0 356861.5 171786.9 0.0 356861.5 171786.9 0.0 -1
321 220.1179400946909 1.5540353 301673.5574 0.0 670517.2000000001 275205.072 323510.53 239134.985 323510.53 239134.985 0.0 670517.2000000001 275205.072 323510.53 239134.985 483867.158 119479.9568 187548.505 670517.2000000001 275205.072 301673.5574 301673.5574 0.0 1142302.6 430383.66 647021.06 199628.47 0.0 198731.8 120026.484 0.0 278641.5 0.0 670517.2000000001 430383.66 647021.06 199628.47 0.0 120026.484 139320.75 0.0 670517.2000000001 430383.66 647021.06 199628.47 0.0 120026.484 139320.75 0.0 1142302.6 430383.66 647021.06 199628.47 0.0 198731.8 120026.484 0.0 278641.5 157503.0325 596441.2200000001 199133.26133333333 175344.55914285712 66542.82333333333 430383.66 198731.8 120026.484 278641.5 0.0 430383.66 199628.47 0.0 430383.66 199628.47 0.0 -1 321.0 D-PANTOTHENIC ACID - 40.0 eV
324 242.18624730219275 1.576357 70708.85 353544.25 0.0 0.0 0.0 0.0 0.0 0.0 353544.25 0.0 0.0 0.0 0.0 141417.7 0.0 117848.08333333331 0.0 0.0 70708.85 70708.85 707088.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 707088.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 707088.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 707088.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176772.125 0.0 0.0 101012.64285714286 235696.16666666663 0.0 0.0 0.0 0.0 353544.25 0.0 0.0 707088.5 0.0 0.0 0.0 179
323 437.21383697071184 1.576357 13412.85 67064.25 0.0 0.0 0.0 0.0 0.0 0.0 67064.25 0.0 0.0 0.0 0.0 26825.7 0.0 22354.75 0.0 0.0 13412.85 13412.85 134128.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134128.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134128.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134128.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33532.125 0.0 0.0 19161.214285714286 44709.5 0.0 0.0 0.0 0.0 67064.25 0.0 0.0 134128.5 0.0 0.0 0.0 -1 323.0 His-C19:0
325 520.2249160879329 1.5875163 12397.2875 0.0 0.0 0.0 61986.4375 0.0 61986.4375 0.0 0.0 0.0 0.0 61986.4375 0.0 24794.575 0.0 20662.14583333333 0.0 0.0 12397.2875 12397.2875 0.0 0.0 0.0 123972.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123972.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123972.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123972.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41324.29166666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
326 158.0811819226992 1.6099225 206183.085 271764.64 285700.9 133217.17 252192.255 88040.46 252192.255 88040.46 271764.64 285700.9 133217.17 252192.255 88040.46 255085.37 157280.8 203999.1183333333 285700.9 133217.17 206183.085 206183.085 315686.06 307222.2 266434.34 386084.25 0.0 227843.22 264179.6 0.0 118300.26 176080.92 315686.06 285700.9 266434.34 386084.25 0.0 227843.22 0.0 147190.59 315686.06 285700.9 266434.34 386084.25 0.0 227843.22 0.0 147190.59 315686.06 307222.2 266434.34 386084.25 0.0 227843.22 264179.6 0.0 118300.26 176080.92 202490.90500000003 270535.57 146753.50666666668 178603.4485714286 181176.42666666667 266434.34 264179.6 0.0 176080.92 271764.64 266434.34 0.0 315686.06 266434.34 0.0 227843.22 232
327 351.1760684413442 1.6129835 8604.337 0.0 43021.685 0.0 0.0 0.0 0.0 0.0 0.0 43021.685 0.0 0.0 0.0 17208.674 0.0 0.0 43021.685 0.0 8604.337 8604.337 0.0 86043.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43021.685 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43021.685 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86043.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28681.123333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267 327.0 N-deoxyfructosylacetyllysine_isomer2
328 192.06432775756784 1.6149491 105582.702 0.0 421442.875 0.0 0.0 106470.635 0.0 106470.635 0.0 421442.875 0.0 0.0 106470.635 211165.404 0.0 35490.21166666666 421442.875 0.0 105582.702 105582.702 0.0 842885.75 0.0 0.0 212941.27 0.0 0.0 0.0 0.0 0.0 0.0 421442.875 0.0 0.0 212941.27 0.0 0.0 0.0 0.0 421442.875 0.0 0.0 212941.27 0.0 0.0 0.0 0.0 842885.75 0.0 0.0 212941.27 0.0 0.0 0.0 0.0 0.0 53235.3175 280961.9166666667 0.0 30420.181428571428 70980.42333333332 0.0 0.0 0.0 0.0 0.0 0.0 212941.27 0.0 0.0 212941.27 0.0 -1 328.0 Spectral Match to L-Kynurenine from NIST14
329 328.15039188459224 1.6363004 27321.612 0.0 0.0 0.0 136608.06 0.0 136608.06 0.0 0.0 0.0 0.0 136608.06 0.0 54643.224 0.0 45536.02 0.0 0.0 27321.612 27321.612 0.0 0.0 0.0 273216.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 273216.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 273216.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 273216.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91072.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88
330 279.13377740388285 1.6678478 38025.23 190126.15 0.0 0.0 0.0 0.0 0.0 0.0 190126.15 0.0 0.0 0.0 0.0 0.0 76050.45999999999 63375.38333333333 0.0 0.0 38025.23 38025.23 0.0 0.0 0.0 0.0 0.0 380252.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 380252.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 380252.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 380252.3 0.0 0.0 0.0 0.0 95063.075 0.0 0.0 54321.75714285714 126750.76666666666 0.0 0.0 0.0 0.0 190126.15 0.0 0.0 0.0 0.0 0.0 380252.3 50 330.0 Spectral Match to Tyr-Pro from NIST14
331 215.1390963473773 1.6946794 10459.538 0.0 0.0 0.0 0.0 52297.69 0.0 52297.69 0.0 0.0 0.0 0.0 52297.69 20919.076 0.0 17432.563333333335 0.0 0.0 10459.538 10459.538 0.0 0.0 0.0 0.0 104595.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104595.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104595.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104595.38 0.0 0.0 0.0 0.0 0.0 26148.845 0.0 0.0 14942.197142857143 34865.12666666667 0.0 0.0 0.0 0.0 0.0 0.0 104595.38 0.0 0.0 104595.38 0.0 -1
333 356.1451430496359 1.7019455 165993.945 232736.625 0.0 0.0 597233.1 0.0 597233.1 0.0 232736.625 0.0 0.0 597233.1 0.0 331987.89 0.0 276656.575 0.0 0.0 165993.945 165993.945 465473.25 0.0 0.0 1194466.2 0.0 0.0 0.0 0.0 0.0 0.0 465473.25 0.0 0.0 1194466.2 0.0 0.0 0.0 0.0 465473.25 0.0 0.0 1194466.2 0.0 0.0 0.0 0.0 465473.25 0.0 0.0 1194466.2 0.0 0.0 0.0 0.0 0.0 0.0 116368.3125 398155.4 0.0 66496.17857142857 155157.75 0.0 0.0 0.0 0.0 232736.625 0.0 0.0 465473.25 0.0 0.0 0.0 88 333.0 Ornithine-C15:1
334 158.02705179078487 1.723947 41372.192 0.0 0.0 0.0 206860.96 0.0 206860.96 0.0 0.0 0.0 0.0 206860.96 0.0 54834.194 27910.19 68953.65333333334 0.0 0.0 41372.192 41372.192 0.0 0.0 0.0 274170.97 0.0 0.0 0.0 0.0 139550.95 0.0 0.0 0.0 0.0 274170.97 0.0 0.0 0.0 69775.475 0.0 0.0 0.0 274170.97 0.0 0.0 0.0 69775.475 0.0 0.0 0.0 274170.97 0.0 0.0 0.0 0.0 139550.95 0.0 0.0 137907.30666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 232
335 276.1705907922149 1.7302728 96034.341 146814.83 147071.735 0.0 186285.14 0.0 186285.14 0.0 146814.83 147071.735 0.0 186285.14 0.0 192068.682 0.0 111033.32333333332 147071.735 0.0 96034.341 96034.341 293629.66 294143.47 0.0 372570.28 0.0 0.0 0.0 0.0 0.0 0.0 293629.66 147071.735 0.0 372570.28 0.0 0.0 0.0 0.0 293629.66 147071.735 0.0 372570.28 0.0 0.0 0.0 0.0 293629.66 294143.47 0.0 372570.28 0.0 0.0 0.0 0.0 0.0 0.0 73407.415 222237.91666666663 0.0 41947.09428571428 97876.55333333332 0.0 0.0 0.0 0.0 146814.83 0.0 0.0 293629.66 0.0 0.0 0.0 179
336 237.1233601582503 1.7450175 23638.317000000003 0.0 118191.585 0.0 0.0 0.0 0.0 0.0 0.0 118191.585 0.0 0.0 0.0 0.0 47276.634000000005 0.0 118191.585 0.0 23638.317000000003 23638.317000000003 0.0 0.0 0.0 0.0 0.0 0.0 236383.17 0.0 0.0 0.0 0.0 118191.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118191.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 236383.17 0.0 0.0 0.0 0.0 0.0 78794.39 33769.02428571429 0.0 0.0 236383.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7
338 152.070637805433 1.7606454 19221.3584 0.0 49706.05 0.0 0.0 46400.742 0.0 46400.742 0.0 49706.05 0.0 0.0 46400.742 18560.2968 19882.42 15466.914 49706.05 0.0 19221.3584 19221.3584 0.0 0.0 0.0 0.0 92801.484 0.0 99412.1 0.0 0.0 0.0 0.0 49706.05 0.0 0.0 92801.484 0.0 0.0 0.0 0.0 49706.05 0.0 0.0 92801.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92801.484 0.0 99412.1 0.0 0.0 0.0 23200.371 0.0 33137.36666666667 27459.08342857143 30933.828 0.0 99412.1 0.0 0.0 0.0 0.0 92801.484 0.0 0.0 92801.484 0.0 -1
340 201.1233763732822 1.8103542 125294.049 100797.095 260832.5 0.0 264840.65 0.0 264840.65 0.0 100797.095 260832.5 0.0 264840.65 0.0 250588.098 0.0 121879.24833333334 260832.5 0.0 125294.049 125294.049 201594.19 521665.0 0.0 529681.3 0.0 0.0 0.0 0.0 0.0 0.0 201594.19 260832.5 0.0 529681.3 0.0 0.0 0.0 0.0 201594.19 260832.5 0.0 529681.3 0.0 0.0 0.0 0.0 201594.19 521665.0 0.0 529681.3 0.0 0.0 0.0 0.0 0.0 0.0 50398.5475 350448.76666666666 0.0 28799.17 67198.06333333334 0.0 0.0 0.0 0.0 100797.095 0.0 0.0 201594.19 0.0 0.0 0.0 -1
341 185.07861213256115 1.8226044 17339.539 0.0 0.0 86697.695 0.0 0.0 0.0 0.0 0.0 0.0 86697.695 0.0 0.0 34679.078 0.0 0.0 0.0 86697.695 17339.539 17339.539 0.0 0.0 173395.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173395.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173395.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173395.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43348.8475 0.0 0.0 24770.77 0.0 173395.39 0.0 0.0 0.0 0.0 173395.39 0.0 0.0 173395.39 0.0 0.0 245 341.0 Asperlactone
342 254.15023646794327 1.8226044 36919.025 0.0 0.0 184595.125 0.0 0.0 0.0 0.0 0.0 0.0 184595.125 0.0 0.0 73838.05 0.0 0.0 0.0 184595.125 36919.025 36919.025 0.0 0.0 369190.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369190.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369190.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369190.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92297.5625 0.0 0.0 52741.46428571428 0.0 369190.25 0.0 0.0 0.0 0.0 369190.25 0.0 0.0 369190.25 0.0 0.0 17
343 276.13217226548824 1.8226044 19173.767 0.0 0.0 95868.835 0.0 0.0 0.0 0.0 0.0 0.0 95868.835 0.0 0.0 38347.534 0.0 0.0 0.0 95868.835 19173.767 19173.767 0.0 0.0 191737.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191737.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191737.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191737.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47934.4175 0.0 0.0 27391.095714285715 0.0 191737.67 0.0 0.0 0.0 0.0 191737.67 0.0 0.0 191737.67 0.0 0.0 -1
344 189.12334269743585 1.8378333 84424.06999999999 0.0 81881.585 0.0 191921.235 148317.53 191921.235 148317.53 0.0 81881.585 0.0 191921.235 148317.53 0.0 168848.14 113412.92166666668 81881.585 0.0 84424.06999999999 84424.06999999999 0.0 0.0 0.0 0.0 0.0 0.0 163763.17 0.0 383842.47 296635.06 0.0 81881.585 0.0 0.0 0.0 0.0 0.0 340238.765 0.0 81881.585 0.0 0.0 0.0 0.0 0.0 340238.765 0.0 0.0 0.0 0.0 0.0 0.0 163763.17 0.0 383842.47 296635.06 0.0 127947.49 153466.07666666666 65771.17571428571 0.0 0.0 163763.17 0.0 296635.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50 344.0 Glycyl-L-leucine CollisionEnergy:102040
346 239.05251116913223 1.8618648 12161.036 0.0 0.0 60805.18 0.0 0.0 0.0 0.0 0.0 0.0 60805.18 0.0 0.0 0.0 24322.072 0.0 0.0 60805.18 12161.036 12161.036 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121610.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121610.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121610.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121610.36 0.0 0.0 0.0 0.0 40536.78666666667 17372.908571428572 0.0 0.0 0.0 121610.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
348 419.152460453512 1.8781902 34058.425 0.0 0.0 0.0 170292.125 0.0 170292.125 0.0 0.0 0.0 0.0 170292.125 0.0 68116.85 0.0 56764.04166666666 0.0 0.0 34058.425 34058.425 0.0 0.0 0.0 340584.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340584.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340584.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340584.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113528.08333333331 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
349 250.116408959232 1.8823531 18963.6815 0.0 0.0 44683.685 50134.7225 0.0 50134.7225 0.0 0.0 0.0 44683.685 50134.7225 0.0 37927.363 0.0 16711.57416666667 0.0 44683.685 18963.6815 18963.6815 0.0 0.0 89367.37 100269.445 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89367.37 100269.445 0.0 0.0 0.0 0.0 0.0 0.0 89367.37 100269.445 0.0 0.0 0.0 0.0 0.0 0.0 89367.37 100269.445 0.0 0.0 0.0 0.0 0.0 0.0 22341.8425 33423.14833333334 0.0 12766.767142857145 0.0 89367.37 0.0 0.0 0.0 0.0 89367.37 0.0 0.0 89367.37 0.0 0.0 -1
350 188.0706808613033 1.9018714 12527.759 0.0 0.0 0.0 0.0 62638.795 0.0 62638.795 0.0 0.0 0.0 0.0 62638.795 25055.518 0.0 20879.59833333333 0.0 0.0 12527.759 12527.759 0.0 0.0 0.0 0.0 125277.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125277.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125277.59 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125277.59 0.0 0.0 0.0 0.0 0.0 31319.3975 0.0 0.0 17896.79857142857 41759.19666666666 0.0 0.0 0.0 0.0 0.0 0.0 125277.59 0.0 0.0 125277.59 0.0 5 350.0 Spectral Match to DL-Indole-3-lactic acid from NIST14
351 211.1078009608888 1.9100926 23562.886 0.0 0.0 0.0 117814.43 0.0 117814.43 0.0 0.0 0.0 0.0 117814.43 0.0 47125.772 0.0 39271.47666666666 0.0 0.0 23562.886 23562.886 0.0 0.0 0.0 235628.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235628.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235628.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235628.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78542.95333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353
352 453.20947838431465 1.9100926 17717.573 0.0 0.0 0.0 88587.865 0.0 88587.865 0.0 0.0 0.0 0.0 88587.865 0.0 35435.146 0.0 29529.28833333333 0.0 0.0 17717.573 17717.573 0.0 0.0 0.0 177175.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 177175.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 177175.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 177175.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59058.57666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121
353 228.134258127424 1.916638 137955.464 189204.28 251932.65 0.0 248640.39 0.0 248640.39 0.0 189204.28 251932.65 0.0 248640.39 0.0 275910.928 0.0 145948.22333333336 251932.65 0.0 137955.464 137955.464 378408.56 503865.3 0.0 497280.78 0.0 0.0 0.0 0.0 0.0 0.0 378408.56 251932.65 0.0 497280.78 0.0 0.0 0.0 0.0 378408.56 251932.65 0.0 497280.78 0.0 0.0 0.0 0.0 378408.56 503865.3 0.0 497280.78 0.0 0.0 0.0 0.0 0.0 0.0 94602.14 333715.36000000004 0.0 54058.36571428571 126136.18666666666 0.0 0.0 0.0 0.0 189204.28 0.0 0.0 378408.56 0.0 0.0 0.0 353
354 334.1609375772356 1.9260379 9031.208 0.0 0.0 0.0 45156.04 0.0 45156.04 0.0 0.0 0.0 0.0 45156.04 0.0 18062.416 0.0 15052.013333333334 0.0 0.0 9031.208 9031.208 0.0 0.0 0.0 90312.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90312.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90312.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90312.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30104.02666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
355 318.1659869939677 1.9435114 12812.6586 0.0 0.0 0.0 64063.293 0.0 64063.293 0.0 0.0 0.0 0.0 64063.293 0.0 25625.3172 0.0 21354.431 0.0 0.0 12812.6586 12812.6586 0.0 0.0 0.0 128126.586 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128126.586 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128126.586 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128126.586 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42708.862 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
356 270.1925184080214 1.9497434 78146.5606 0.0 60062.918 139495.235 88034.7 103139.95 88034.7 103139.95 0.0 60062.918 139495.235 88034.7 103139.95 55798.094 100495.0272 63724.88333333333 60062.918 139495.235 78146.5606 78146.5606 0.0 0.0 278990.47 0.0 0.0 0.0 120125.836 0.0 176069.4 206279.9 0.0 60062.918 278990.47 0.0 0.0 0.0 0.0 191174.65 0.0 60062.918 278990.47 0.0 0.0 0.0 0.0 191174.65 0.0 0.0 278990.47 0.0 0.0 0.0 120125.836 0.0 176069.4 206279.9 69747.6175 58689.8 108801.912 86485.17228571429 0.0 278990.47 120125.836 0.0 206279.9 0.0 278990.47 0.0 0.0 278990.47 0.0 0.0 17
358 247.1288235677275 1.9579859 229171.284 238824.95 0.0 179090.985 145016.5 582923.985 145016.5 582923.985 238824.95 0.0 179090.985 145016.5 582923.985 146391.68600000002 311950.882 322255.145 0.0 179090.985 229171.284 229171.284 477649.9 0.0 0.0 0.0 254308.53 0.0 0.0 358181.97 290033.0 911539.44 477649.9 0.0 0.0 0.0 254308.53 0.0 358181.97 600786.22 477649.9 0.0 0.0 0.0 254308.53 0.0 358181.97 600786.22 477649.9 0.0 0.0 0.0 254308.53 0.0 0.0 358181.97 290033.0 911539.44 182989.6075 96677.66666666669 423240.47 285954.2628571429 243986.1433333333 0.0 0.0 358181.97 911539.44 238824.95 0.0 254308.53 477649.9 0.0 254308.53 0.0 292 358.0 Spectral Match to Asp-Leu from NIST14
359 229.11829229970192 1.9658356 22135.277 0.0 110676.385 0.0 0.0 0.0 0.0 0.0 0.0 110676.385 0.0 0.0 0.0 44270.554 0.0 0.0 110676.385 0.0 22135.277 22135.277 0.0 221352.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110676.385 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110676.385 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221352.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73784.25666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 359.0 Spectral Match to PyroGlu-Val from NIST14
360 461.3330305388545 1.982938 13821.153 69105.765 0.0 0.0 0.0 0.0 0.0 0.0 69105.765 0.0 0.0 0.0 0.0 0.0 27642.306 23035.255 0.0 0.0 13821.153 13821.153 0.0 0.0 0.0 0.0 0.0 138211.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138211.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138211.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138211.53 0.0 0.0 0.0 0.0 34552.8825 0.0 0.0 19744.504285714287 46070.51 0.0 0.0 0.0 0.0 69105.765 0.0 0.0 0.0 0.0 0.0 138211.53 7 360.0 Spectral Match to Leu-Val from NIST14
361 243.13391695279185 1.9906738 28068.778 0.0 140343.89 0.0 0.0 0.0 0.0 0.0 0.0 140343.89 0.0 0.0 0.0 0.0 56137.556 0.0 140343.89 0.0 28068.778 28068.778 0.0 0.0 0.0 0.0 0.0 0.0 280687.78 0.0 0.0 0.0 0.0 140343.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140343.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280687.78 0.0 0.0 0.0 0.0 0.0 93562.59333333334 40098.25428571429 0.0 0.0 280687.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50 361.0 Spectral Match to PyroGlu-Ile from NIST14
362 289.1758272319159 1.9913384 12606.0055 0.0 0.0 0.0 63030.0275 0.0 63030.0275 0.0 0.0 0.0 0.0 63030.0275 0.0 25212.011 0.0 21010.009166666667 0.0 0.0 12606.0055 12606.0055 0.0 0.0 0.0 126060.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126060.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126060.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126060.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42020.01833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85
363 261.1443077826902 2.0140707 8783.2375 43916.1875 0.0 0.0 0.0 0.0 0.0 0.0 43916.1875 0.0 0.0 0.0 0.0 0.0 17566.475 14638.729166666666 0.0 0.0 8783.2375 8783.2375 0.0 0.0 0.0 0.0 0.0 87832.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87832.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87832.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87832.375 0.0 0.0 0.0 0.0 21958.09375 0.0 0.0 12547.482142857143 29277.45833333333 0.0 0.0 0.0 0.0 43916.1875 0.0 0.0 0.0 0.0 0.0 87832.375 -1
365 215.1390130968664 2.0398479 11839.026 0.0 0.0 0.0 59195.13 0.0 59195.13 0.0 0.0 0.0 0.0 59195.13 0.0 23678.052 0.0 19731.71 0.0 0.0 11839.026 11839.026 0.0 0.0 0.0 118390.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118390.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118390.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118390.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39463.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
366 285.1345732145693 2.0460336 49349.810000000005 130229.885 69330.125 0.0 47189.04 0.0 47189.04 0.0 130229.885 69330.125 0.0 47189.04 0.0 98699.62 0.0 59139.64166666666 69330.125 0.0 49349.810000000005 49349.810000000005 260459.77 138660.25 0.0 94378.08 0.0 0.0 0.0 0.0 0.0 0.0 260459.77 69330.125 0.0 94378.08 0.0 0.0 0.0 0.0 260459.77 69330.125 0.0 94378.08 0.0 0.0 0.0 0.0 260459.77 138660.25 0.0 94378.08 0.0 0.0 0.0 0.0 0.0 0.0 65114.9425 77679.44333333334 0.0 37208.53857142857 86819.92333333332 0.0 0.0 0.0 0.0 130229.885 0.0 0.0 260459.77 0.0 0.0 0.0 40
368 304.1768254894211 2.0654786 91667.166 128693.36 84257.42 58213.385 119561.905 67609.76 119561.905 67609.76 128693.36 84257.42 58213.385 119561.905 67609.76 183334.332 0.0 105288.34166666667 84257.42 58213.385 91667.166 91667.166 257386.72 168514.84 116426.77 239123.81 135219.52 0.0 0.0 0.0 0.0 0.0 257386.72 84257.42 116426.77 239123.81 135219.52 0.0 0.0 0.0 257386.72 84257.42 116426.77 239123.81 135219.52 0.0 0.0 0.0 257386.72 168514.84 116426.77 239123.81 135219.52 0.0 0.0 0.0 0.0 0.0 127258.2525 135879.55000000002 0.0 72719.00142857143 130868.74666666666 116426.77 0.0 0.0 0.0 128693.36 116426.77 135219.52 257386.72 116426.77 135219.52 0.0 -1
369 248.0920560928071 2.078746 30785.222 0.0 0.0 153926.11 0.0 0.0 0.0 0.0 0.0 0.0 153926.11 0.0 0.0 61570.444 0.0 0.0 0.0 153926.11 30785.222 30785.222 0.0 0.0 307852.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307852.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307852.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307852.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76963.055 0.0 0.0 43978.88857142856 0.0 307852.22 0.0 0.0 0.0 0.0 307852.22 0.0 0.0 307852.22 0.0 0.0 38
370 412.1569986898338 2.07964 49752.25 0.0 248761.25 0.0 0.0 0.0 0.0 0.0 0.0 248761.25 0.0 0.0 0.0 99504.5 0.0 0.0 248761.25 0.0 49752.25 49752.25 0.0 497522.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 248761.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 248761.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 497522.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165840.83333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257
372 226.1074340836209 2.1125906 19018.4 0.0 95092.0 0.0 0.0 0.0 0.0 0.0 0.0 95092.0 0.0 0.0 0.0 38036.8 0.0 0.0 95092.0 0.0 19018.4 19018.4 0.0 190184.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95092.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95092.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190184.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63394.66666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115 372.0 3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one
373 195.11289681206952 2.1497881 82888.699 200284.86 0.0 150540.55 0.0 63618.085 0.0 63618.085 200284.86 0.0 150540.55 0.0 63618.085 165777.398 0.0 87967.64833333333 0.0 150540.55 82888.699 82888.699 400569.72 0.0 301081.1 0.0 127236.17 0.0 0.0 0.0 0.0 0.0 400569.72 0.0 301081.1 0.0 127236.17 0.0 0.0 0.0 400569.72 0.0 301081.1 0.0 127236.17 0.0 0.0 0.0 400569.72 0.0 301081.1 0.0 127236.17 0.0 0.0 0.0 0.0 0.0 207221.7475 0.0 0.0 118412.42714285714 175935.29666666666 301081.1 0.0 0.0 0.0 200284.86 301081.1 127236.17 400569.72 301081.1 127236.17 0.0 40
374 182.04946620093992 2.1705878 9269.9305 0.0 46349.6525 0.0 0.0 0.0 0.0 0.0 0.0 46349.6525 0.0 0.0 0.0 0.0 18539.861 0.0 46349.6525 0.0 9269.9305 9269.9305 0.0 0.0 0.0 0.0 0.0 0.0 92699.305 0.0 0.0 0.0 0.0 46349.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46349.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92699.305 0.0 0.0 0.0 0.0 0.0 30899.76833333333 13242.757857142857 0.0 0.0 92699.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
375 367.1496261676763 2.1765158 9037.516 45187.58 0.0 0.0 0.0 0.0 0.0 0.0 45187.58 0.0 0.0 0.0 0.0 18075.032 0.0 15062.526666666668 0.0 0.0 9037.516 9037.516 90375.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90375.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90375.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90375.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22593.79 0.0 0.0 12910.737142857144 30125.053333333333 0.0 0.0 0.0 0.0 45187.58 0.0 0.0 90375.16 0.0 0.0 0.0 -1
376 431.21351883389775 2.2162805 13239.011 0.0 0.0 0.0 66195.055 0.0 66195.055 0.0 0.0 0.0 0.0 66195.055 0.0 26478.022 0.0 22065.01833333333 0.0 0.0 13239.011 13239.011 0.0 0.0 0.0 132390.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132390.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132390.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132390.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44130.03666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 269
377 314.20717971795 2.2214293 22701.572 113507.86 0.0 0.0 0.0 0.0 0.0 0.0 113507.86 0.0 0.0 0.0 0.0 0.0 45403.144 37835.95333333333 0.0 0.0 22701.572 22701.572 0.0 0.0 0.0 0.0 0.0 227015.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 227015.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 227015.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 227015.72 0.0 0.0 0.0 0.0 56753.93 0.0 0.0 32430.817142857144 75671.90666666666 0.0 0.0 0.0 0.0 113507.86 0.0 0.0 0.0 0.0 0.0 227015.72 96
378 293.16071066416106 2.271855 36139.697 84252.695 96445.79 0.0 0.0 0.0 0.0 0.0 84252.695 96445.79 0.0 0.0 0.0 72279.394 0.0 28084.23166666667 96445.79 0.0 36139.697 36139.697 168505.39 192891.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168505.39 96445.79 0.0 0.0 0.0 0.0 0.0 0.0 168505.39 96445.79 0.0 0.0 0.0 0.0 0.0 0.0 168505.39 192891.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42126.3475 64297.19333333333 0.0 24072.198571428573 56168.46333333334 0.0 0.0 0.0 0.0 84252.695 0.0 0.0 168505.39 0.0 0.0 0.0 -1
379 229.15462041302672 2.272533 34567.652 79936.235 0.0 0.0 0.0 92902.025 0.0 92902.025 79936.235 0.0 0.0 0.0 92902.025 69135.304 0.0 57612.75333333333 0.0 0.0 34567.652 34567.652 159872.47 0.0 0.0 0.0 185804.05 0.0 0.0 0.0 0.0 0.0 159872.47 0.0 0.0 0.0 185804.05 0.0 0.0 0.0 159872.47 0.0 0.0 0.0 185804.05 0.0 0.0 0.0 159872.47 0.0 0.0 0.0 185804.05 0.0 0.0 0.0 0.0 0.0 86419.13 0.0 0.0 49382.36 115225.50666666668 0.0 0.0 0.0 0.0 79936.235 0.0 185804.05 159872.47 0.0 185804.05 0.0 50 379.0 Spectral Match to PyroGlu-Val from NIST14
380 271.0721708319133 2.3016794 18476.553 92382.765 0.0 0.0 0.0 0.0 0.0 0.0 92382.765 0.0 0.0 0.0 0.0 36953.106 0.0 30794.255 0.0 0.0 18476.553 18476.553 184765.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184765.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184765.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184765.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46191.3825 0.0 0.0 26395.075714285715 61588.51 0.0 0.0 0.0 0.0 92382.765 0.0 0.0 184765.53 0.0 0.0 0.0 -1
381 472.2024885010759 2.3411326 50128.144 0.0 0.0 0.0 250640.72 0.0 250640.72 0.0 0.0 0.0 0.0 250640.72 0.0 42340.4 57915.888 83546.90666666666 0.0 0.0 50128.144 50128.144 0.0 0.0 0.0 211702.0 0.0 0.0 0.0 0.0 289579.44 0.0 0.0 0.0 0.0 211702.0 0.0 0.0 0.0 144789.72 0.0 0.0 0.0 211702.0 0.0 0.0 0.0 144789.72 0.0 0.0 0.0 211702.0 0.0 0.0 0.0 0.0 289579.44 0.0 0.0 167093.81333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
382 201.0081305761168 2.3633869 11597.32 57986.6 0.0 0.0 0.0 0.0 0.0 0.0 57986.6 0.0 0.0 0.0 0.0 0.0 23194.64 19328.866666666665 0.0 0.0 11597.32 11597.32 0.0 0.0 0.0 0.0 0.0 115973.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115973.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115973.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115973.2 0.0 0.0 0.0 0.0 28993.3 0.0 0.0 16567.6 38657.73333333333 0.0 0.0 0.0 0.0 57986.6 0.0 0.0 0.0 0.0 0.0 115973.2 32
383 358.14296655276024 2.3691812 23837.292 0.0 119186.46 0.0 0.0 0.0 0.0 0.0 0.0 119186.46 0.0 0.0 0.0 47674.584 0.0 0.0 119186.46 0.0 23837.292 23837.292 0.0 238372.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119186.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119186.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 238372.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79457.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 249
384 218.1385448161917 2.379845 32928.216 164641.08 0.0 0.0 0.0 0.0 0.0 0.0 164641.08 0.0 0.0 0.0 0.0 65856.432 0.0 54880.35999999999 0.0 0.0 32928.216 32928.216 329282.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329282.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329282.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329282.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82320.54 0.0 0.0 47040.30857142857 109760.72 0.0 0.0 0.0 0.0 164641.08 0.0 0.0 329282.16 0.0 0.0 0.0 59
385 268.165603655369 2.4168968 34143.13 0.0 0.0 0.0 0.0 170715.65 0.0 170715.65 0.0 0.0 0.0 0.0 170715.65 68286.26 0.0 56905.21666666667 0.0 0.0 34143.13 34143.13 0.0 0.0 0.0 0.0 341431.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341431.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341431.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341431.3 0.0 0.0 0.0 0.0 0.0 85357.825 0.0 0.0 48775.9 113810.43333333332 0.0 0.0 0.0 0.0 0.0 0.0 341431.3 0.0 0.0 341431.3 0.0 17
386 290.14752931202503 2.4168968 29672.38 0.0 0.0 0.0 0.0 148361.9 0.0 148361.9 0.0 0.0 0.0 0.0 148361.9 59344.76 0.0 49453.96666666667 0.0 0.0 29672.38 29672.38 0.0 0.0 0.0 0.0 296723.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296723.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296723.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296723.8 0.0 0.0 0.0 0.0 0.0 74180.95 0.0 0.0 42389.11428571429 98907.93333333332 0.0 0.0 0.0 0.0 0.0 0.0 296723.8 0.0 0.0 296723.8 0.0 30
387 243.13384557327564 2.4170408 19433.452 0.0 97167.26 0.0 0.0 0.0 0.0 0.0 0.0 97167.26 0.0 0.0 0.0 38866.904 0.0 0.0 97167.26 0.0 19433.452 19433.452 0.0 194334.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97167.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97167.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 194334.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64778.17333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
388 226.07101543598856 2.4855995 30755.25 0.0 0.0 0.0 153776.25 0.0 153776.25 0.0 0.0 0.0 0.0 153776.25 0.0 61510.5 0.0 51258.75 0.0 0.0 30755.25 30755.25 0.0 0.0 0.0 307552.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307552.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307552.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 307552.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102517.5 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 0.0 139 388.0 Massbank:KO009044 Metyrapone
389 409.1864836608412 2.5034409 61204.94 306024.7 0.0 0.0 0.0 0.0 0.0 0.0 306024.7 0.0 0.0 0.0 0.0 122409.88 0.0 102008.23333333334 0.0 0.0 61204.94 61204.94 612049.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 612049.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 612049.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 612049.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153012.35 0.0 0.0 87435.62857142858 204016.46666666667 0.0 0.0 0.0 0.0 306024.7 0.0 0.0 612049.4 0.0 0.0 0.0 -1 389.0 tryptophan
391 159.09159892619516 2.5647395 55437.809 162667.86 66760.33 0.0 47760.855 0.0 47760.855 0.0 162667.86 66760.33 0.0 47760.855 0.0 110875.618 0.0 70142.905 66760.33 0.0 55437.809 55437.809 325335.72 133520.66 0.0 95521.71 0.0 0.0 0.0 0.0 0.0 0.0 325335.72 66760.33 0.0 95521.71 0.0 0.0 0.0 0.0 325335.72 66760.33 0.0 95521.71 0.0 0.0 0.0 0.0 325335.72 133520.66 0.0 95521.71 0.0 0.0 0.0 0.0 0.0 0.0 81333.93 76347.45666666667 0.0 46476.53142857143 108445.24 0.0 0.0 0.0 0.0 162667.86 0.0 0.0 325335.72 0.0 0.0 0.0 14
392 261.14451011984033 2.5659819 68533.891 88114.725 0.0 144538.06 110016.67 0.0 110016.67 0.0 88114.725 0.0 144538.06 110016.67 0.0 93061.114 44006.668 66043.79833333334 0.0 144538.06 68533.891 68533.891 176229.45 0.0 289076.12 0.0 0.0 0.0 0.0 0.0 220033.34 0.0 176229.45 0.0 289076.12 0.0 0.0 0.0 0.0 110016.67 176229.45 0.0 289076.12 0.0 0.0 0.0 0.0 110016.67 176229.45 0.0 289076.12 0.0 0.0 0.0 0.0 0.0 220033.34 0.0 116326.3925 73344.44666666667 0.0 66472.22428571428 58743.15 289076.12 0.0 0.0 0.0 88114.725 289076.12 0.0 176229.45 289076.12 0.0 0.0 61 392.0 Massbank:MT000016 gamma-Glutamylleucine
393 170.05998174518794 2.6031084 61161.198 0.0 138177.6 0.0 167628.39 0.0 167628.39 0.0 0.0 138177.6 0.0 167628.39 0.0 122322.396 0.0 55876.130000000005 138177.6 0.0 61161.198 61161.198 0.0 276355.2 0.0 335256.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138177.6 0.0 335256.78 0.0 0.0 0.0 0.0 0.0 138177.6 0.0 335256.78 0.0 0.0 0.0 0.0 0.0 276355.2 0.0 335256.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203870.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
396 244.1178849107738 2.705423 23688.352 0.0 118441.76 0.0 0.0 0.0 0.0 0.0 0.0 118441.76 0.0 0.0 0.0 47376.704 0.0 0.0 118441.76 0.0 23688.352 23688.352 0.0 236883.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118441.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118441.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 236883.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78961.17333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
397 237.12336553344696 2.726472 9725.784 0.0 48628.92 0.0 0.0 0.0 0.0 0.0 0.0 48628.92 0.0 0.0 0.0 0.0 19451.568 0.0 48628.92 0.0 9725.784 9725.784 0.0 0.0 0.0 0.0 0.0 0.0 97257.84 0.0 0.0 0.0 0.0 48628.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48628.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97257.84 0.0 0.0 0.0 0.0 0.0 32419.28 13893.977142857142 0.0 0.0 97257.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
398 276.13426197883064 2.7595527 10228.725 51143.625 0.0 0.0 0.0 0.0 0.0 0.0 51143.625 0.0 0.0 0.0 0.0 20457.45 0.0 17047.875 0.0 0.0 10228.725 10228.725 102287.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102287.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102287.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102287.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25571.8125 0.0 0.0 14612.464285714286 34095.75 0.0 0.0 0.0 0.0 51143.625 0.0 0.0 102287.25 0.0 0.0 0.0 -1
399 281.11324354339126 2.7625523 77376.4185 170731.295 0.0 60957.1875 0.0 155193.61 0.0 155193.61 170731.295 0.0 60957.1875 0.0 155193.61 50228.797 104524.04 108641.635 0.0 60957.1875 77376.4185 77376.4185 129229.61 0.0 121914.375 0.0 0.0 212232.98 0.0 0.0 0.0 310387.22 129229.61 0.0 121914.375 0.0 0.0 212232.98 0.0 155193.61 129229.61 0.0 121914.375 0.0 0.0 212232.98 0.0 155193.61 129229.61 0.0 121914.375 0.0 0.0 212232.98 0.0 0.0 0.0 310387.22 115844.24125 0.0 103462.40666666666 110537.74071428573 113820.86333333334 121914.375 0.0 0.0 310387.22 170731.295 121914.375 0.0 129229.61 121914.375 0.0 212232.98 292 399.0 Spectral Match to .alpha.-L-Asp-L-Phe from NIST14
400 171.11284258213485 2.7932448 15752.46 0.0 0.0 0.0 78762.3 0.0 78762.3 0.0 0.0 0.0 0.0 78762.3 0.0 31504.92 0.0 26254.1 0.0 0.0 15752.46 15752.46 0.0 0.0 0.0 157524.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157524.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157524.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157524.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52508.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
401 217.1546768159471 3.082373 14843.981 74219.905 0.0 0.0 0.0 0.0 0.0 0.0 74219.905 0.0 0.0 0.0 0.0 0.0 29687.962 24739.96833333333 0.0 0.0 14843.981 14843.981 0.0 0.0 0.0 0.0 0.0 148439.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148439.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148439.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148439.81 0.0 0.0 0.0 0.0 37109.9525 0.0 0.0 21205.687142857143 49479.93666666667 0.0 0.0 0.0 0.0 74219.905 0.0 0.0 0.0 0.0 0.0 148439.81 7
402 546.2762252407325 3.2124527 15573.602 77868.01 0.0 0.0 0.0 0.0 0.0 0.0 77868.01 0.0 0.0 0.0 0.0 31147.204 0.0 25956.00333333333 0.0 0.0 15573.602 15573.602 155736.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155736.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155736.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155736.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38934.005 0.0 0.0 22248.002857142856 51912.00666666666 0.0 0.0 0.0 0.0 77868.01 0.0 0.0 155736.02 0.0 0.0 0.0 -1
403 179.57511117407506 3.225762 17910.267 0.0 89551.335 0.0 0.0 0.0 0.0 0.0 0.0 89551.335 0.0 0.0 0.0 35820.534 0.0 0.0 89551.335 0.0 17910.267 17910.267 0.0 179102.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89551.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89551.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 179102.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59700.89000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
404 500.2350177738995 3.2850602 21146.738 0.0 0.0 0.0 105733.69 0.0 105733.69 0.0 0.0 0.0 0.0 105733.69 0.0 42293.476 0.0 35244.56333333333 0.0 0.0 21146.738 21146.738 0.0 0.0 0.0 211467.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211467.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211467.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211467.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70489.12666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 269
405 371.228653244303 3.316906 16424.442000000003 0.0 0.0 0.0 82122.21 0.0 82122.21 0.0 0.0 0.0 0.0 82122.21 0.0 32848.884000000005 0.0 27374.070000000003 0.0 0.0 16424.442000000003 16424.442000000003 0.0 0.0 0.0 164244.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164244.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164244.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164244.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54748.14000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61
406 223.0579577231261 3.401293 15180.839000000002 0.0 0.0 75904.195 0.0 0.0 0.0 0.0 0.0 0.0 75904.195 0.0 0.0 30361.678000000004 0.0 0.0 0.0 75904.195 15180.839000000002 15180.839000000002 0.0 0.0 151808.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151808.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151808.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151808.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37952.0975 0.0 0.0 21686.91285714286 0.0 151808.39 0.0 0.0 0.0 0.0 151808.39 0.0 0.0 151808.39 0.0 0.0 30
407 390.18692579620335 3.4193878 29102.528 0.0 145512.64 0.0 0.0 0.0 0.0 0.0 0.0 145512.64 0.0 0.0 0.0 58205.056 0.0 0.0 145512.64 0.0 29102.528 29102.528 0.0 291025.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145512.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145512.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291025.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97008.42666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
408 239.0893210601688 3.4326024 10343.5234 0.0 0.0 51717.617 0.0 0.0 0.0 0.0 0.0 0.0 51717.617 0.0 0.0 20687.0468 0.0 0.0 0.0 51717.617 10343.5234 10343.5234 0.0 0.0 103435.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103435.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103435.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103435.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25858.8085 0.0 0.0 14776.462 0.0 103435.234 0.0 0.0 0.0 0.0 103435.234 0.0 0.0 103435.234 0.0 0.0 30
409 326.1707973402022 3.4444695 10118.264 0.0 0.0 0.0 50591.32 0.0 50591.32 0.0 0.0 0.0 0.0 50591.32 0.0 20236.528 0.0 16863.773333333334 0.0 0.0 10118.264 10118.264 0.0 0.0 0.0 101182.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101182.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101182.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101182.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33727.54666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27
411 352.1865771996333 3.4675453 19636.922 0.0 98184.61 0.0 0.0 0.0 0.0 0.0 0.0 98184.61 0.0 0.0 0.0 39273.844 0.0 0.0 98184.61 0.0 19636.922 19636.922 0.0 196369.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98184.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98184.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 196369.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65456.40666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 207
412 265.1546790234148 3.487598 7084.694 0.0 35423.47 0.0 0.0 0.0 0.0 0.0 0.0 35423.47 0.0 0.0 0.0 0.0 14169.388 0.0 35423.47 0.0 7084.694 7084.694 0.0 0.0 0.0 0.0 0.0 0.0 70846.94 0.0 0.0 0.0 0.0 35423.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35423.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70846.94 0.0 0.0 0.0 0.0 0.0 23615.646666666667 10120.99142857143 0.0 0.0 70846.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 412.0 Spectral Match to Phe-Val from NIST14
413 490.2757567606092 3.4989803 19050.889000000003 0.0 95254.445 0.0 0.0 0.0 0.0 0.0 0.0 95254.445 0.0 0.0 0.0 38101.778000000006 0.0 0.0 95254.445 0.0 19050.889000000003 19050.889000000003 0.0 190508.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95254.445 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95254.445 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190508.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63502.96333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340
414 197.12847493290624 3.5125368 104320.959 0.0 274442.78 0.0 131167.4 115994.615 131167.4 115994.615 0.0 274442.78 0.0 131167.4 115994.615 0.0 208641.918 82387.33833333333 274442.78 0.0 104320.959 104320.959 0.0 0.0 0.0 0.0 0.0 0.0 548885.56 0.0 262334.8 231989.23 0.0 274442.78 0.0 0.0 0.0 0.0 0.0 247162.015 0.0 274442.78 0.0 0.0 0.0 0.0 0.0 247162.015 0.0 0.0 0.0 0.0 0.0 0.0 548885.56 0.0 262334.8 231989.23 0.0 87444.93333333333 260291.59666666668 111553.54142857144 0.0 0.0 548885.56 0.0 231989.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 414.0 cyclo(L-Val-L-Pro)
415 322.1073347932695 3.5184672 41868.81 0.0 0.0 0.0 136221.8 73122.25 136221.8 73122.25 0.0 0.0 0.0 136221.8 73122.25 83737.62 0.0 69781.34999999999 0.0 0.0 41868.81 41868.81 0.0 0.0 0.0 272443.6 146244.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 272443.6 146244.5 0.0 0.0 0.0 0.0 0.0 0.0 272443.6 146244.5 0.0 0.0 0.0 0.0 0.0 0.0 272443.6 146244.5 0.0 0.0 0.0 0.0 0.0 36561.125 90814.53333333333 0.0 20892.071428571428 48748.16666666666 0.0 0.0 0.0 0.0 0.0 0.0 146244.5 0.0 0.0 146244.5 0.0 75
416 328.08191021957884 3.5258512 64942.64399999999 0.0 0.0 324713.22 0.0 0.0 0.0 0.0 0.0 0.0 324713.22 0.0 0.0 129885.288 0.0 0.0 0.0 324713.22 64942.64399999999 64942.64399999999 0.0 0.0 649426.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649426.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649426.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 649426.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162356.61 0.0 0.0 92775.20571428572 0.0 649426.44 0.0 0.0 0.0 0.0 649426.44 0.0 0.0 649426.44 0.0 0.0 115
417 338.0796849189969 3.5277789 126621.274 0.0 274382.72 0.0 358723.65 0.0 358723.65 0.0 0.0 274382.72 0.0 358723.65 0.0 253242.548 0.0 119574.55 274382.72 0.0 126621.274 126621.274 0.0 548765.44 0.0 717447.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274382.72 0.0 717447.3 0.0 0.0 0.0 0.0 0.0 274382.72 0.0 717447.3 0.0 0.0 0.0 0.0 0.0 548765.44 0.0 717447.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 422070.9133333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49
418 169.13350219958016 3.538781 11659.023 0.0 0.0 0.0 58295.115 0.0 58295.115 0.0 0.0 0.0 0.0 58295.115 0.0 23318.046 0.0 19431.705 0.0 0.0 11659.023 11659.023 0.0 0.0 0.0 116590.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116590.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116590.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116590.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38863.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
419 159.06776752141965 3.5546515 22272.689 0.0 0.0 0.0 111363.445 0.0 111363.445 0.0 0.0 0.0 0.0 111363.445 0.0 44545.378 0.0 37121.14833333334 0.0 0.0 22272.689 22272.689 0.0 0.0 0.0 222726.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222726.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222726.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222726.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74242.29666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
420 168.07301499047236 3.5546515 28754.144 0.0 0.0 0.0 143770.72 0.0 143770.72 0.0 0.0 0.0 0.0 143770.72 0.0 57508.288 0.0 47923.57333333333 0.0 0.0 28754.144 28754.144 0.0 0.0 0.0 287541.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 287541.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 287541.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 287541.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95847.14666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
421 297.0531141849861 3.5546515 12146.511 0.0 0.0 0.0 60732.555 0.0 60732.555 0.0 0.0 0.0 0.0 60732.555 0.0 24293.022 0.0 20244.185 0.0 0.0 12146.511 12146.511 0.0 0.0 0.0 121465.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121465.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121465.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121465.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40488.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49
422 455.2132750986085 3.5546515 65307.49399999999 0.0 0.0 0.0 326537.47 0.0 326537.47 0.0 0.0 0.0 0.0 326537.47 0.0 130614.98799999998 0.0 108845.82333333332 0.0 0.0 65307.49399999999 65307.49399999999 0.0 0.0 0.0 653074.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 653074.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 653074.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 653074.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217691.64666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88
423 528.2715535456107 3.5546515 18055.383 0.0 0.0 0.0 90276.915 0.0 90276.915 0.0 0.0 0.0 0.0 90276.915 0.0 36110.766 0.0 30092.305 0.0 0.0 18055.383 18055.383 0.0 0.0 0.0 180553.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180553.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180553.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180553.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60184.60999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
424 448.22910543298366 3.5703497 22170.678 0.0 0.0 0.0 110853.39 0.0 110853.39 0.0 0.0 0.0 0.0 110853.39 0.0 44341.356 0.0 36951.13 0.0 0.0 22170.678 22170.678 0.0 0.0 0.0 221706.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221706.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221706.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221706.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73902.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340
426 154.0499203892087 3.6721833 10458.179 52290.895 0.0 0.0 0.0 0.0 0.0 0.0 52290.895 0.0 0.0 0.0 0.0 20916.358 0.0 17430.298333333332 0.0 0.0 10458.179 10458.179 104581.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104581.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104581.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104581.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26145.4475 0.0 0.0 14940.255714285711 34860.596666666665 0.0 0.0 0.0 0.0 52290.895 0.0 0.0 104581.79 0.0 0.0 0.0 -1
429 217.15473884602628 3.6773329 12368.3984 0.0 61841.992 0.0 0.0 0.0 0.0 0.0 0.0 61841.992 0.0 0.0 0.0 24736.7968 0.0 0.0 61841.992 0.0 12368.3984 12368.3984 0.0 123683.984 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61841.992 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61841.992 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123683.984 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41227.994666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
431 262.1077476495072 3.7002463 9546.466 0.0 0.0 47732.33 0.0 0.0 0.0 0.0 0.0 0.0 47732.33 0.0 0.0 19092.932 0.0 0.0 0.0 47732.33 9546.466 9546.466 0.0 0.0 95464.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95464.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95464.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95464.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23866.165 0.0 0.0 13637.808571428572 0.0 95464.66 0.0 0.0 0.0 0.0 95464.66 0.0 0.0 95464.66 0.0 0.0 38
433 450.24497275723513 3.7693882 14940.265 0.0 38846.085 0.0 35855.24 0.0 35855.24 0.0 0.0 38846.085 0.0 35855.24 0.0 29880.53 0.0 11951.746666666666 38846.085 0.0 14940.265 14940.265 0.0 77692.17 0.0 71710.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38846.085 0.0 71710.48 0.0 0.0 0.0 0.0 0.0 38846.085 0.0 71710.48 0.0 0.0 0.0 0.0 0.0 77692.17 0.0 71710.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49800.88333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267
434 390.16608670664687 3.7798219 13398.28 0.0 0.0 0.0 66991.4 0.0 66991.4 0.0 0.0 0.0 0.0 66991.4 0.0 26796.56 0.0 22330.466666666664 0.0 0.0 13398.28 13398.28 0.0 0.0 0.0 133982.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133982.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133982.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133982.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44660.93333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27
435 550.262273403609 3.7798219 11496.069 0.0 0.0 0.0 57480.345 0.0 57480.345 0.0 0.0 0.0 0.0 57480.345 0.0 22992.138 0.0 19160.115 0.0 0.0 11496.069 11496.069 0.0 0.0 0.0 114960.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114960.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114960.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114960.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38320.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121
437 405.2133644367117 3.8274493 37751.953 0.0 0.0 0.0 188759.765 0.0 188759.765 0.0 0.0 0.0 0.0 188759.765 0.0 75503.906 0.0 62919.92166666667 0.0 0.0 37751.953 37751.953 0.0 0.0 0.0 377519.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377519.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377519.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377519.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125839.84333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61
438 217.09721371138448 3.828101 41338.995 0.0 151089.29499999998 0.0 55605.68 0.0 55605.68 0.0 0.0 151089.29499999998 0.0 55605.68 0.0 57102.684 25575.306 18535.226666666666 151089.29499999998 0.0 41338.995 41338.995 0.0 174302.06 0.0 111211.36 0.0 0.0 127876.53 0.0 0.0 0.0 0.0 151089.29499999998 0.0 111211.36 0.0 0.0 0.0 0.0 0.0 151089.29499999998 0.0 111211.36 0.0 0.0 0.0 0.0 0.0 174302.06 0.0 111211.36 0.0 0.0 127876.53 0.0 0.0 0.0 0.0 95171.14 42625.51 18268.075714285715 0.0 0.0 127876.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 438.0 3S_2349_Tetrahydro_1h_pyrido_34b_indole_carboxylic_acid
440 227.1391530340921 3.846814 210522.067 36347.4 0.0 168066.86 760968.2 87227.875 760968.2 87227.875 36347.4 0.0 168066.86 760968.2 87227.875 421044.134 0.0 294847.825 0.0 168066.86 210522.067 210522.067 72694.8 0.0 336133.72 1521936.4 174455.75 0.0 0.0 0.0 0.0 0.0 72694.8 0.0 336133.72 1521936.4 174455.75 0.0 0.0 0.0 72694.8 0.0 336133.72 1521936.4 174455.75 0.0 0.0 0.0 72694.8 0.0 336133.72 1521936.4 174455.75 0.0 0.0 0.0 0.0 0.0 145821.0675 507312.1333333333 0.0 83326.32428571429 82383.51666666666 336133.72 0.0 0.0 0.0 36347.4 336133.72 174455.75 72694.8 336133.72 174455.75 0.0 40 440.0 cyclo(L-Leu-L-4-hydroxy-Pro)
441 165.06342830237654 3.8474889 30666.578 0.0 153332.89 0.0 0.0 0.0 0.0 0.0 0.0 153332.89 0.0 0.0 0.0 0.0 61333.156 0.0 153332.89 0.0 30666.578 30666.578 0.0 0.0 0.0 0.0 0.0 0.0 306665.78 0.0 0.0 0.0 0.0 153332.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153332.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306665.78 0.0 0.0 0.0 0.0 0.0 102221.92666666668 43809.397142857146 0.0 0.0 306665.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
442 295.16514717901885 3.8474889 41650.094 0.0 208250.47 0.0 0.0 0.0 0.0 0.0 0.0 208250.47 0.0 0.0 0.0 0.0 83300.188 0.0 208250.47 0.0 41650.094 41650.094 0.0 0.0 0.0 0.0 0.0 0.0 416500.94 0.0 0.0 0.0 0.0 208250.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 208250.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 416500.94 0.0 0.0 0.0 0.0 0.0 138833.64666666667 59500.13428571429 0.0 0.0 416500.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 442.0 Spectral Match to Tyr-Leu from NIST14
443 279.13405420635684 3.8484645 110286.912 0.0 0.0 551434.56 0.0 0.0 0.0 0.0 0.0 0.0 551434.56 0.0 0.0 187513.0 33060.824 0.0 0.0 551434.56 110286.912 110286.912 0.0 0.0 937565.0 0.0 0.0 0.0 0.0 165304.12 0.0 0.0 0.0 0.0 937565.0 0.0 0.0 0.0 165304.12 0.0 0.0 0.0 937565.0 0.0 0.0 0.0 165304.12 0.0 0.0 0.0 937565.0 0.0 0.0 0.0 0.0 165304.12 0.0 0.0 234391.25 0.0 55101.37333333333 157552.73142857145 0.0 937565.0 0.0 165304.12 0.0 0.0 937565.0 0.0 0.0 937565.0 0.0 0.0 164
444 338.1711332589013 3.8569922 7608.402 0.0 38042.01 0.0 0.0 0.0 0.0 0.0 0.0 38042.01 0.0 0.0 0.0 15216.804 0.0 0.0 38042.01 0.0 7608.402 7608.402 0.0 76084.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38042.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38042.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76084.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25361.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
445 228.14238270523785 3.8596303 12428.8414 0.0 0.0 0.0 62144.207 0.0 62144.207 0.0 0.0 0.0 0.0 62144.207 0.0 24857.6828 0.0 20714.735666666667 0.0 0.0 12428.8414 12428.8414 0.0 0.0 0.0 124288.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124288.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124288.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124288.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41429.471333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 445.0 Pyrenocine B putative
446 263.14072798225527 3.865867 26609.292000000005 0.0 73072.05 0.0 0.0 59974.41 0.0 59974.41 0.0 73072.05 0.0 0.0 59974.41 0.0 53218.58400000001 19991.47 73072.05 0.0 26609.292000000005 26609.292000000005 0.0 0.0 0.0 0.0 0.0 0.0 146144.1 0.0 0.0 119948.82 0.0 73072.05 0.0 0.0 0.0 0.0 0.0 59974.41 0.0 73072.05 0.0 0.0 0.0 0.0 0.0 59974.41 0.0 0.0 0.0 0.0 0.0 0.0 146144.1 0.0 0.0 119948.82 0.0 0.0 88697.64000000001 38013.274285714295 0.0 0.0 146144.1 0.0 119948.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 446.0 Spectral Match to Met-Leu from NIST14
447 180.10203443757828 3.8751965 57394.898 0.0 0.0 180950.92 106023.57 0.0 106023.57 0.0 0.0 0.0 180950.92 106023.57 0.0 114789.796 0.0 35341.19 0.0 180950.92 57394.898 57394.898 0.0 0.0 361901.84 212047.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 361901.84 212047.14 0.0 0.0 0.0 0.0 0.0 0.0 361901.84 212047.14 0.0 0.0 0.0 0.0 0.0 0.0 361901.84 212047.14 0.0 0.0 0.0 0.0 0.0 0.0 90475.46 70682.38 0.0 51700.26285714286 0.0 361901.84 0.0 0.0 0.0 0.0 361901.84 0.0 0.0 361901.84 0.0 0.0 8 447.0 C2_0_N-Acyl_Tyramine
448 252.12304948685457 3.8785362 14648.853 73244.265 0.0 0.0 0.0 0.0 0.0 0.0 73244.265 0.0 0.0 0.0 0.0 29297.706 0.0 24414.755 0.0 0.0 14648.853 14648.853 146488.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146488.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146488.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146488.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36622.1325 0.0 0.0 20926.932857142856 48829.51 0.0 0.0 0.0 0.0 73244.265 0.0 0.0 146488.53 0.0 0.0 0.0 -1 448.0 Rivastigmine tartrate (Exelon)
449 455.1450792086523 3.8846147 14384.631 0.0 0.0 0.0 0.0 71923.155 0.0 71923.155 0.0 0.0 0.0 0.0 71923.155 0.0 28769.262 23974.385 0.0 0.0 14384.631 14384.631 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143846.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71923.155 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71923.155 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143846.31 0.0 0.0 47948.77 20549.472857142857 0.0 0.0 0.0 0.0 143846.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
450 371.2287707507956 3.89032 11031.167 55155.835 0.0 0.0 0.0 0.0 0.0 0.0 55155.835 0.0 0.0 0.0 0.0 0.0 22062.334 18385.27833333333 0.0 0.0 11031.167 11031.167 0.0 0.0 0.0 0.0 0.0 110311.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110311.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110311.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110311.67 0.0 0.0 0.0 0.0 27577.9175 0.0 0.0 15758.81 36770.55666666666 0.0 0.0 0.0 0.0 55155.835 0.0 0.0 0.0 0.0 0.0 110311.67 96
451 401.20339155539966 3.8911965 18997.23 0.0 0.0 0.0 94986.15 0.0 94986.15 0.0 0.0 0.0 0.0 94986.15 0.0 37994.46 0.0 31662.05 0.0 0.0 18997.23 18997.23 0.0 0.0 0.0 189972.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189972.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189972.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189972.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63324.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114
452 306.1448170208692 3.9061236 14004.092 70020.46 0.0 0.0 0.0 0.0 0.0 0.0 70020.46 0.0 0.0 0.0 0.0 0.0 28008.184 23340.153333333332 0.0 0.0 14004.092 14004.092 0.0 0.0 0.0 0.0 0.0 140040.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140040.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140040.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140040.92 0.0 0.0 0.0 0.0 35010.23 0.0 0.0 20005.845714285715 46680.30666666667 0.0 0.0 0.0 0.0 70020.46 0.0 0.0 0.0 0.0 0.0 140040.92 61 452.0 Spectral Match to Val-Trp from NIST14
453 636.218734352406 3.9163084 33098.206 0.0 0.0 0.0 0.0 165491.03 0.0 165491.03 0.0 0.0 0.0 0.0 165491.03 0.0 66196.412 55163.676666666666 0.0 0.0 33098.206 33098.206 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 330982.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165491.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165491.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 330982.06 0.0 0.0 110327.35333333332 47283.15142857143 0.0 0.0 0.0 0.0 330982.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172
454 161.03383530617415 3.942153 9210.654 46053.27 0.0 0.0 0.0 0.0 0.0 0.0 46053.27 0.0 0.0 0.0 0.0 18421.308 0.0 15351.089999999998 0.0 0.0 9210.654 9210.654 92106.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92106.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92106.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92106.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23026.635 0.0 0.0 13158.077142857142 30702.18 0.0 0.0 0.0 0.0 46053.27 0.0 0.0 92106.54 0.0 0.0 0.0 -1
455 265.1546308600506 3.958195 65540.117 149383.735 178316.85 0.0 0.0 0.0 0.0 0.0 149383.735 178316.85 0.0 0.0 0.0 0.0 131080.234 49794.57833333333 178316.85 0.0 65540.117 65540.117 0.0 0.0 0.0 0.0 0.0 298767.47 356633.7 0.0 0.0 0.0 0.0 178316.85 0.0 0.0 0.0 298767.47 0.0 0.0 0.0 178316.85 0.0 0.0 0.0 298767.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 298767.47 356633.7 0.0 0.0 0.0 74691.8675 0.0 118877.9 93628.73857142856 99589.15666666666 0.0 356633.7 0.0 0.0 149383.735 0.0 0.0 0.0 0.0 0.0 298767.47 7
456 391.157645160407 3.9655523 104471.334 0.0 0.0 0.0 522356.67 0.0 522356.67 0.0 0.0 0.0 0.0 522356.67 0.0 155486.58000000002 53456.088 174118.89 0.0 0.0 104471.334 104471.334 0.0 0.0 0.0 777432.9 0.0 0.0 0.0 0.0 267280.44 0.0 0.0 0.0 0.0 777432.9 0.0 0.0 0.0 133640.22 0.0 0.0 0.0 777432.9 0.0 0.0 0.0 133640.22 0.0 0.0 0.0 777432.9 0.0 0.0 0.0 0.0 267280.44 0.0 0.0 348237.78 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 30
457 759.3264502394226 3.9876025 12830.649 0.0 0.0 0.0 64153.245 0.0 64153.245 0.0 0.0 0.0 0.0 64153.245 0.0 25661.298000000003 0.0 21384.415 0.0 0.0 12830.649 12830.649 0.0 0.0 0.0 128306.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128306.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128306.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128306.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42768.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
458 459.24468182889 3.9890134 73777.956 368889.78 0.0 0.0 0.0 0.0 0.0 0.0 368889.78 0.0 0.0 0.0 0.0 147555.912 0.0 122963.26 0.0 0.0 73777.956 73777.956 737779.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 737779.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 737779.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 737779.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184444.89 0.0 0.0 105397.08 245926.52 0.0 0.0 0.0 0.0 368889.78 0.0 0.0 737779.56 0.0 0.0 0.0 -1
460 439.1499247961594 3.995091 10361.013 0.0 0.0 0.0 0.0 51805.065 0.0 51805.065 0.0 0.0 0.0 0.0 51805.065 0.0 20722.026 17268.355 0.0 0.0 10361.013 10361.013 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103610.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51805.065 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51805.065 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103610.13 0.0 0.0 34536.71 14801.447142857143 0.0 0.0 0.0 0.0 103610.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
461 288.19177025755084 4.0040894 48214.058000000005 96418.94 0.0 0.0 144651.35 0.0 144651.35 0.0 96418.94 0.0 0.0 144651.35 0.0 0.0 96428.116 80356.76333333334 0.0 0.0 48214.058000000005 48214.058000000005 0.0 0.0 0.0 0.0 0.0 192837.88 0.0 0.0 289302.7 0.0 0.0 0.0 0.0 0.0 0.0 192837.88 0.0 144651.35 0.0 0.0 0.0 0.0 0.0 192837.88 0.0 144651.35 0.0 0.0 0.0 0.0 0.0 192837.88 0.0 0.0 289302.7 0.0 48209.47 96434.23333333334 0.0 27548.268571428573 64279.293333333335 0.0 0.0 0.0 0.0 96418.94 0.0 0.0 0.0 0.0 0.0 192837.88 129
462 358.160952651721 4.01905 18436.098 0.0 0.0 0.0 92180.49 0.0 92180.49 0.0 0.0 0.0 0.0 92180.49 0.0 36872.196 0.0 30726.83 0.0 0.0 18436.098 18436.098 0.0 0.0 0.0 184360.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184360.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184360.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184360.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61453.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
463 242.1499446602631 4.0281787 18190.72 0.0 90953.6 0.0 0.0 0.0 0.0 0.0 0.0 90953.6 0.0 0.0 0.0 0.0 36381.44 0.0 90953.6 0.0 18190.72 18190.72 0.0 0.0 0.0 0.0 0.0 0.0 181907.2 0.0 0.0 0.0 0.0 90953.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90953.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181907.2 0.0 0.0 0.0 0.0 0.0 60635.73333333334 25986.742857142857 0.0 0.0 181907.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
464 519.126289172676 4.037774 182634.015 0.0 0.0 846925.7 0.0 66244.375 0.0 66244.375 0.0 0.0 846925.7 0.0 66244.375 338770.28 26497.75 22081.45833333333 0.0 846925.7 182634.015 182634.015 0.0 0.0 1693851.4 0.0 0.0 0.0 0.0 0.0 0.0 132488.75 0.0 0.0 1693851.4 0.0 0.0 0.0 0.0 66244.375 0.0 0.0 1693851.4 0.0 0.0 0.0 0.0 66244.375 0.0 0.0 1693851.4 0.0 0.0 0.0 0.0 0.0 0.0 132488.75 423462.85 0.0 44162.91666666666 260905.7357142857 0.0 1693851.4 0.0 0.0 132488.75 0.0 1693851.4 0.0 0.0 1693851.4 0.0 0.0 30
467 302.207389265283 4.0603037 24235.311 0.0 121176.555 0.0 0.0 0.0 0.0 0.0 0.0 121176.555 0.0 0.0 0.0 0.0 48470.622 0.0 121176.555 0.0 24235.311 24235.311 0.0 0.0 0.0 0.0 0.0 0.0 242353.11 0.0 0.0 0.0 0.0 121176.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121176.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242353.11 0.0 0.0 0.0 0.0 0.0 80784.37 34621.87285714286 0.0 0.0 242353.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369
468 160.13315896736802 4.0638394 37813.706 189068.53 0.0 0.0 0.0 0.0 0.0 0.0 189068.53 0.0 0.0 0.0 0.0 0.0 75627.412 63022.84333333333 0.0 0.0 37813.706 37813.706 0.0 0.0 0.0 0.0 0.0 378137.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 378137.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 378137.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 378137.06 0.0 0.0 0.0 0.0 94534.265 0.0 0.0 54019.58 126045.68666666666 0.0 0.0 0.0 0.0 189068.53 0.0 0.0 0.0 0.0 0.0 378137.06 7
470 185.12845331670303 4.0731945 40994.301 0.0 204971.505 0.0 0.0 0.0 0.0 0.0 0.0 204971.505 0.0 0.0 0.0 60389.25600000001 21599.346 0.0 204971.505 0.0 40994.301 40994.301 0.0 301946.28 0.0 0.0 0.0 0.0 107996.73 0.0 0.0 0.0 0.0 204971.505 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204971.505 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301946.28 0.0 0.0 0.0 0.0 107996.73 0.0 0.0 0.0 0.0 100648.76 35998.91 15428.104285714286 0.0 0.0 107996.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 470.0 ReSpect:PM014403 Cyclo(Ala-Leu)
471 294.1338370422777 4.0790963 18915.734 0.0 0.0 94578.67 0.0 0.0 0.0 0.0 0.0 0.0 94578.67 0.0 0.0 37831.468 0.0 0.0 0.0 94578.67 18915.734 18915.734 0.0 0.0 189157.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189157.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189157.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189157.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47289.335 0.0 0.0 27022.477142857144 0.0 189157.34 0.0 0.0 0.0 0.0 189157.34 0.0 0.0 189157.34 0.0 0.0 38 471.0 N-[2-(5-chloroindol-3-yl)ethyl]propanamide CollisionEnergy:102040
472 300.1554802434164 4.082052 26468.925 0.0 0.0 0.0 132344.625 0.0 132344.625 0.0 0.0 0.0 0.0 132344.625 0.0 52937.85 0.0 44114.875 0.0 0.0 26468.925 26468.925 0.0 0.0 0.0 264689.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264689.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264689.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264689.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88229.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
473 249.07580634164933 4.086002 263561.547 0.0 0.0 996010.265 0.0 321797.47 0.0 321797.47 0.0 0.0 996010.265 0.0 321797.47 370548.96 156574.134 107265.82333333332 0.0 996010.265 263561.547 263561.547 0.0 0.0 1852744.8 0.0 0.0 0.0 0.0 139275.73 0.0 643594.94 0.0 0.0 1852744.8 0.0 0.0 0.0 139275.73 321797.47 0.0 0.0 1852744.8 0.0 0.0 0.0 139275.73 321797.47 0.0 0.0 1852744.8 0.0 0.0 0.0 0.0 139275.73 0.0 643594.94 463186.2 0.0 260956.89 376516.4957142857 0.0 1852744.8 0.0 139275.73 643594.94 0.0 1852744.8 0.0 0.0 1852744.8 0.0 0.0 38
475 245.1858783418887 4.094992 596750.05 2983750.25 0.0 0.0 0.0 0.0 0.0 0.0 2983750.25 0.0 0.0 0.0 0.0 0.0 1193500.1 994583.4166666666 0.0 0.0 596750.05 596750.05 0.0 0.0 0.0 0.0 0.0 5967500.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5967500.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5967500.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5967500.5 0.0 0.0 0.0 0.0 1491875.125 0.0 0.0 852500.0714285715 1989166.8333333333 0.0 0.0 0.0 0.0 2983750.25 0.0 0.0 0.0 0.0 0.0 5967500.5 7 475.0 Spectral Match to Ile-Leu from NIST14
476 624.2990805509173 4.0984907 35548.106 0.0 0.0 0.0 177740.53 0.0 177740.53 0.0 0.0 0.0 0.0 177740.53 0.0 71096.212 0.0 59246.84333333333 0.0 0.0 35548.106 35548.106 0.0 0.0 0.0 355481.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355481.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355481.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355481.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118493.68666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1
474 181.09721101174807 4.1085143 397224.87 0.0 1075436.25 0.0 910688.1 0.0 910688.1 0.0 0.0 1075436.25 0.0 910688.1 0.0 794449.74 0.0 303562.7 1075436.25 0.0 397224.87 397224.87 0.0 2150872.5 0.0 1821376.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1075436.25 0.0 1821376.2 0.0 0.0 0.0 0.0 0.0 1075436.25 0.0 1821376.2 0.0 0.0 0.0 0.0 0.0 2150872.5 0.0 1821376.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1324082.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131 474.0 1,6-propano-3-ethylideno-1,4-piperazine-2,5-dione
477 229.10061177676133 4.1085143 337717.27 0.0 979909.3 0.0 708677.05 0.0 708677.05 0.0 0.0 979909.3 0.0 708677.05 0.0 675434.54 0.0 236225.68333333332 979909.3 0.0 337717.27 337717.27 0.0 1959818.6 0.0 1417354.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 979909.3 0.0 1417354.1 0.0 0.0 0.0 0.0 0.0 979909.3 0.0 1417354.1 0.0 0.0 0.0 0.0 0.0 1959818.6 0.0 1417354.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1125724.2333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131
478 346.1971370865184 4.1116858 9874.8484 49374.242 0.0 0.0 0.0 0.0 0.0 0.0 49374.242 0.0 0.0 0.0 0.0 0.0 19749.6968 16458.080666666665 0.0 0.0 9874.8484 9874.8484 0.0 0.0 0.0 0.0 0.0 98748.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98748.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98748.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98748.484 0.0 0.0 0.0 0.0 24687.121 0.0 0.0 14106.926285714286 32916.16133333333 0.0 0.0 0.0 0.0 49374.242 0.0 0.0 0.0 0.0 0.0 98748.484 369
479 271.0576225141299 4.113428 105281.88199999998 0.0 0.0 137182.44 0.0 389226.97 0.0 389226.97 0.0 0.0 137182.44 0.0 389226.97 0.0 210563.764 129742.32333333332 0.0 137182.44 105281.88199999998 105281.88199999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 0.0 778453.94 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 389226.97 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 389226.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274364.88 0.0 778453.94 0.0 0.0 350939.60666666663 150402.68857142856 0.0 0.0 0.0 274364.88 778453.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
480 240.03255182528915 4.118538 9963.703 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 19927.406 0.0 0.0 49818.515 0.0 9963.703 9963.703 0.0 99637.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49818.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99637.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33212.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
481 530.2458449867139 4.129865 43394.056 0.0 0.0 0.0 216970.28 0.0 216970.28 0.0 0.0 0.0 0.0 216970.28 0.0 86788.112 0.0 72323.42666666667 0.0 0.0 43394.056 43394.056 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433940.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144646.85333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
482 652.2284534281464 4.129865 27791.94 0.0 0.0 0.0 138959.7 0.0 138959.7 0.0 0.0 0.0 0.0 138959.7 0.0 55583.880000000005 0.0 46319.9 0.0 0.0 27791.94 27791.94 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277919.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92639.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
483 302.11350612835736 4.1344967 13572.660999999998 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 27145.322 0.0 0.0 67863.305 0.0 13572.660999999998 13572.660999999998 0.0 135726.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67863.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135726.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45242.20333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222
493 411.2602255336268 4.223561 10877.254 54386.27 0.0 0.0 0.0 0.0 0.0 0.0 54386.27 0.0 0.0 0.0 0.0 0.0 21754.508 18128.756666666664 0.0 0.0 10877.254 10877.254 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108772.54 0.0 0.0 0.0 0.0 27193.135 0.0 0.0 15538.934285714286 36257.51333333333 0.0 0.0 0.0 0.0 54386.27 0.0 0.0 0.0 0.0 0.0 108772.54 -1
494 334.1398589983989 4.2319856 43389.728 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 86779.456 0.0 0.0 216948.64 0.0 43389.728 43389.728 0.0 433897.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 216948.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 433897.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144632.42666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61 494.0 Golotimod
497 344.18173774833565 4.241422 7050.644 0.0 0.0 0.0 35253.22 0.0 35253.22 0.0 0.0 0.0 0.0 35253.22 0.0 14101.288 0.0 11751.073333333334 0.0 0.0 7050.644 7050.644 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70506.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23502.146666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88
498 450.2448485162861 4.252671 24926.3825 0.0 63064.3475 0.0 61567.565 0.0 61567.565 0.0 0.0 63064.3475 0.0 61567.565 0.0 49852.765 0.0 20522.521666666667 63064.3475 0.0 24926.3825 24926.3825 0.0 126128.695 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63064.3475 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 63064.3475 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 126128.695 0.0 123135.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83087.94166666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195
499 360.21328138745025 4.2642603 26913.833999999995 0.0 0.0 74574.515 59994.655 0.0 59994.655 0.0 0.0 0.0 74574.515 59994.655 0.0 53827.66799999999 0.0 19998.21833333333 0.0 74574.515 26913.833999999995 26913.833999999995 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 149149.03 119989.31 0.0 0.0 0.0 0.0 0.0 0.0 37287.2575 39996.43666666667 0.0 21307.004285714287 0.0 149149.03 0.0 0.0 0.0 0.0 149149.03 0.0 0.0 149149.03 0.0 0.0 -1
500 365.1456234633879 4.2648473 31880.478000000003 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 63760.956000000006 0.0 0.0 159402.39 0.0 31880.478000000003 31880.478000000003 0.0 318804.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159402.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318804.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106268.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
503 330.10356256918845 4.272964 126535.0 0.0 0.0 0.0 632675.0 0.0 632675.0 0.0 0.0 0.0 0.0 632675.0 0.0 253070.0 0.0 210891.66666666663 0.0 0.0 126535.0 126535.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1265350.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 421783.3333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
504 636.2185268395222 4.28344 45308.35 0.0 0.0 0.0 0.0 226541.75 0.0 226541.75 0.0 0.0 0.0 0.0 226541.75 0.0 90616.7 75513.91666666667 0.0 0.0 45308.35 45308.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226541.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226541.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 151027.83333333334 64726.21428571428 0.0 0.0 0.0 0.0 453083.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172
505 231.17034207155407 4.2876897 45143.522 225717.61 0.0 0.0 0.0 0.0 0.0 0.0 225717.61 0.0 0.0 0.0 0.0 0.0 90287.044 75239.20333333332 0.0 0.0 45143.522 45143.522 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 451435.22 0.0 0.0 0.0 0.0 112858.805 0.0 0.0 64490.74571428571 150478.40666666665 0.0 0.0 0.0 0.0 225717.61 0.0 0.0 0.0 0.0 0.0 451435.22 7
506 358.14310695517406 4.288334 23868.6846 54458.168 0.0 0.0 64885.255 0.0 64885.255 0.0 54458.168 0.0 0.0 64885.255 0.0 47737.3692 0.0 39781.141 0.0 0.0 23868.6846 23868.6846 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 108916.336 0.0 0.0 129770.51 0.0 0.0 0.0 0.0 0.0 0.0 27229.084 43256.83666666666 0.0 15559.476571428571 36305.44533333333 0.0 0.0 0.0 0.0 54458.168 0.0 0.0 108916.336 0.0 0.0 0.0 88 506.0 SCHEMBL649003
507 659.1999487007735 4.288806 43820.972 0.0 0.0 0.0 219104.86 0.0 219104.86 0.0 0.0 0.0 0.0 219104.86 0.0 87641.94399999999 0.0 73034.95333333332 0.0 0.0 43820.972 43820.972 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 438209.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146069.90666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
508 675.2396012543554 4.2990613 118949.5 0.0 0.0 0.0 0.0 594747.5 0.0 594747.5 0.0 0.0 0.0 0.0 594747.5 0.0 237899.0 198249.16666666663 0.0 0.0 118949.5 118949.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 594747.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 594747.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 396498.3333333333 169927.85714285713 0.0 0.0 0.0 0.0 1189495.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
509 377.1456083855931 4.301051 34507.534 134008.15 0.0 0.0 38529.52 0.0 38529.52 0.0 134008.15 0.0 0.0 38529.52 0.0 0.0 69015.068 57512.55666666666 0.0 0.0 34507.534 34507.534 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 0.0 77059.04 0.0 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 38529.52 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 38529.52 0.0 0.0 0.0 0.0 0.0 268016.3 0.0 0.0 77059.04 0.0 67004.075 25686.346666666665 0.0 38288.04285714286 89338.76666666666 0.0 0.0 0.0 0.0 134008.15 0.0 0.0 0.0 0.0 0.0 268016.3 230 509.0 riboflavin
510 507.2419778085991 4.3031354 15230.053 76150.265 0.0 0.0 0.0 0.0 0.0 0.0 76150.265 0.0 0.0 0.0 0.0 30460.106 0.0 25383.421666666665 0.0 0.0 15230.053 15230.053 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152300.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38075.1325 0.0 0.0 21757.21857142857 50766.84333333333 0.0 0.0 0.0 0.0 76150.265 0.0 0.0 152300.53 0.0 0.0 0.0 123
512 485.2603786429325 4.328082 80977.19399999999 178823.0 0.0 0.0 226062.97 0.0 226062.97 0.0 178823.0 0.0 0.0 226062.97 0.0 161954.38799999998 0.0 134961.99 0.0 0.0 80977.19399999999 80977.19399999999 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 357646.0 0.0 0.0 452125.94 0.0 0.0 0.0 0.0 0.0 0.0 89411.5 150708.64666666667 0.0 51092.28571428572 119215.33333333331 0.0 0.0 0.0 0.0 178823.0 0.0 0.0 357646.0 0.0 0.0 0.0 50
513 383.6443243176978 4.3303957 13354.372 0.0 0.0 0.0 0.0 66771.86 0.0 66771.86 0.0 0.0 0.0 0.0 66771.86 0.0 26708.744 22257.286666666667 0.0 0.0 13354.372 13354.372 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66771.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66771.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 44514.57333333333 19077.674285714285 0.0 0.0 0.0 0.0 133543.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
514 245.1859283910788 4.3377295 172880.72 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 345761.44 0.0 864403.6 0.0 172880.72 172880.72 0.0 0.0 0.0 0.0 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 864403.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 0.0 576269.0666666667 246972.45714285717 0.0 0.0 1728807.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 514.0 Spectral Match to Ile-Leu from NIST14
515 327.15519196304723 4.3468037 14593.853 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 29187.706 0.0 0.0 72969.265 0.0 14593.853 14593.853 0.0 145938.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72969.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145938.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48646.176666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
516 161.5572774540781 4.3530283 9559.0555 0.0 0.0 0.0 47795.2775 0.0 47795.2775 0.0 0.0 0.0 0.0 47795.2775 0.0 19118.111 0.0 15931.759166666665 0.0 0.0 9559.0555 9559.0555 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31863.51833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
517 182.07051799230385 4.3530283 11454.9336 0.0 0.0 0.0 57274.668 0.0 57274.668 0.0 0.0 0.0 0.0 57274.668 0.0 22909.8672 0.0 19091.556 0.0 0.0 11454.9336 11454.9336 0.0 0.0 0.0 114549.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114549.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114549.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114549.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38183.112 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
518 197.1284428368309 4.3530283 13575.217 0.0 0.0 0.0 67876.085 0.0 67876.085 0.0 0.0 0.0 0.0 67876.085 0.0 27150.434 0.0 22625.361666666668 0.0 0.0 13575.217 13575.217 0.0 0.0 0.0 135752.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135752.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135752.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135752.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45250.723333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
519 226.07111895328129 4.3530283 57077.55 0.0 0.0 0.0 285387.75 0.0 285387.75 0.0 0.0 0.0 0.0 285387.75 0.0 114155.1 0.0 95129.25 0.0 0.0 57077.55 57077.55 0.0 0.0 0.0 570775.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 570775.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 570775.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 570775.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190258.5 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 0.0 139 519.0 Massbank:KO009044 Metyrapone
511 243.13396669171016 4.3530283 410427.55 0.0 0.0 0.0 2052137.75 0.0 2052137.75 0.0 0.0 0.0 0.0 2052137.75 0.0 820855.1 0.0 684045.9166666666 0.0 0.0 410427.55 410427.55 0.0 0.0 0.0 4104275.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4104275.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4104275.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4104275.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1368091.8333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50 511.0 Spectral Match to PyroGlu-Ile from NIST14
520 265.1158810853014 4.3530283 24152.773 0.0 0.0 0.0 120763.865 0.0 120763.865 0.0 0.0 0.0 0.0 120763.865 0.0 48305.546 0.0 40254.621666666666 0.0 0.0 24152.773 24152.773 0.0 0.0 0.0 241527.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 241527.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 241527.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 241527.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80509.24333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123
521 372.1764898633089 4.3530283 29386.875 0.0 0.0 0.0 146934.375 0.0 146934.375 0.0 0.0 0.0 0.0 146934.375 0.0 58773.75 0.0 48978.125 0.0 0.0 29386.875 29386.875 0.0 0.0 0.0 293868.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 293868.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 293868.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 293868.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97956.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88
522 219.1128451128904 4.3748403 26535.392 0.0 53691.46 0.0 78985.5 0.0 78985.5 0.0 0.0 53691.46 0.0 78985.5 0.0 53070.784 0.0 26328.5 53691.46 0.0 26535.392 26535.392 0.0 107382.92 0.0 157971.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53691.46 0.0 157971.0 0.0 0.0 0.0 0.0 0.0 53691.46 0.0 157971.0 0.0 0.0 0.0 0.0 0.0 107382.92 0.0 157971.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88451.30666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40
525 378.1659813505176 4.3852544 16064.362 0.0 0.0 0.0 80321.81 0.0 80321.81 0.0 0.0 0.0 0.0 80321.81 0.0 32128.724 0.0 26773.936666666665 0.0 0.0 16064.362 16064.362 0.0 0.0 0.0 160643.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160643.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160643.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160643.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53547.87333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
526 340.22320914008344 4.3957415 12470.0984 0.0 0.0 0.0 62350.492 0.0 62350.492 0.0 0.0 0.0 0.0 62350.492 0.0 0.0 24940.1968 20783.497333333333 0.0 0.0 12470.0984 12470.0984 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124700.984 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62350.492 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62350.492 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124700.984 0.0 0.0 41566.994666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337
528 379.1534225158412 4.428633 19318.627 0.0 96593.135 0.0 0.0 0.0 0.0 0.0 0.0 96593.135 0.0 0.0 0.0 38637.254 0.0 0.0 96593.135 0.0 19318.627 19318.627 0.0 193186.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 96593.135 0.0 0.0 0.0 0.0 0.0 0.0 0.0 96593.135 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193186.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64395.42333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257
529 401.13543543076025 4.428633 16001.670000000002 0.0 80008.35 0.0 0.0 0.0 0.0 0.0 0.0 80008.35 0.0 0.0 0.0 32003.340000000004 0.0 0.0 80008.35 0.0 16001.670000000002 16001.670000000002 0.0 160016.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80008.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80008.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160016.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53338.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 207
530 330.20243344028864 4.442232 68403.2196 60086.883 150941.19 0.0 130988.025 0.0 130988.025 0.0 60086.883 150941.19 0.0 130988.025 0.0 136806.4392 0.0 63691.636 150941.19 0.0 68403.2196 68403.2196 120173.766 301882.38 0.0 261976.05 0.0 0.0 0.0 0.0 0.0 0.0 120173.766 150941.19 0.0 261976.05 0.0 0.0 0.0 0.0 120173.766 150941.19 0.0 261976.05 0.0 0.0 0.0 0.0 120173.766 301882.38 0.0 261976.05 0.0 0.0 0.0 0.0 0.0 0.0 30043.4415 187952.81 0.0 17167.68085714286 40057.922 0.0 0.0 0.0 0.0 60086.883 0.0 0.0 120173.766 0.0 0.0 0.0 195
531 277.15469933288307 4.4495397 8189.341 0.0 0.0 0.0 40946.705 0.0 40946.705 0.0 0.0 0.0 0.0 40946.705 0.0 16378.682 0.0 13648.901666666668 0.0 0.0 8189.341 8189.341 0.0 0.0 0.0 81893.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81893.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81893.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81893.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27297.803333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 531.0 ReSpect:PM014404 Cyclo(Tyr-Leu)
532 413.2757343674314 4.4503627 13262.892000000002 66314.46 0.0 0.0 0.0 0.0 0.0 0.0 66314.46 0.0 0.0 0.0 0.0 0.0 26525.784000000003 22104.820000000003 0.0 0.0 13262.892000000002 13262.892000000002 0.0 0.0 0.0 0.0 0.0 132628.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132628.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132628.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132628.92 0.0 0.0 0.0 0.0 33157.23 0.0 0.0 18946.988571428574 44209.64000000001 0.0 0.0 0.0 0.0 66314.46 0.0 0.0 0.0 0.0 0.0 132628.92 287
534 353.11674549761744 4.462454 15567.72 0.0 77838.6 0.0 0.0 0.0 0.0 0.0 0.0 77838.6 0.0 0.0 0.0 31135.44 0.0 0.0 77838.6 0.0 15567.72 15567.72 0.0 155677.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77838.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77838.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155677.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51892.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
535 199.0866271140744 4.465455 9375.23 0.0 0.0 0.0 46876.15 0.0 46876.15 0.0 0.0 0.0 0.0 46876.15 0.0 18750.46 0.0 15625.383333333331 0.0 0.0 9375.23 9375.23 0.0 0.0 0.0 93752.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93752.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93752.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93752.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31250.766666666663 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
536 210.02200473401905 4.465455 17062.35 0.0 0.0 0.0 85311.75 0.0 85311.75 0.0 0.0 0.0 0.0 85311.75 0.0 34124.7 0.0 28437.25 0.0 0.0 17062.35 17062.35 0.0 0.0 0.0 170623.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170623.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170623.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170623.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56874.5 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 0.0 115
537 261.123613160294 4.4659634 84804.99 0.0 0.0 52070.825 371954.125 0.0 371954.125 0.0 0.0 0.0 52070.825 371954.125 0.0 169609.98 0.0 123984.70833333331 0.0 52070.825 84804.99 84804.99 0.0 0.0 104141.65 743908.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104141.65 743908.25 0.0 0.0 0.0 0.0 0.0 0.0 104141.65 743908.25 0.0 0.0 0.0 0.0 0.0 0.0 104141.65 743908.25 0.0 0.0 0.0 0.0 0.0 0.0 26035.4125 247969.41666666663 0.0 14877.378571428571 0.0 104141.65 0.0 0.0 0.0 0.0 104141.65 0.0 0.0 104141.65 0.0 0.0 40 537.0 cyclo(Phe-4-Hyp)
544 342.0970491441336 4.50393 16549.370000000003 0.0 0.0 0.0 0.0 82746.85 0.0 82746.85 0.0 0.0 0.0 0.0 82746.85 0.0 33098.740000000005 27582.283333333336 0.0 0.0 16549.370000000003 16549.370000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165493.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82746.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82746.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165493.7 0.0 0.0 55164.56666666667 23641.957142857143 0.0 0.0 0.0 0.0 165493.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
545 290.15980534440905 4.51011 11466.016 57330.08 0.0 0.0 0.0 0.0 0.0 0.0 57330.08 0.0 0.0 0.0 0.0 22932.032 0.0 19110.02666666667 0.0 0.0 11466.016 11466.016 114660.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114660.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114660.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114660.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28665.04 0.0 0.0 16380.022857142858 38220.05333333334 0.0 0.0 0.0 0.0 57330.08 0.0 0.0 114660.16 0.0 0.0 0.0 59
546 302.1498791275425 4.526456 112810.1154 223016.65 0.0 86092.39 54496.617 200444.92 54496.617 200444.92 223016.65 0.0 86092.39 54496.617 200444.92 0.0 225620.2308 159319.39566666668 0.0 86092.39 112810.1154 112810.1154 0.0 0.0 0.0 0.0 0.0 446033.3 0.0 172184.78 108993.234 400889.84 0.0 0.0 0.0 0.0 0.0 446033.3 172184.78 254941.537 0.0 0.0 0.0 0.0 0.0 446033.3 172184.78 254941.537 0.0 0.0 0.0 0.0 0.0 446033.3 0.0 172184.78 108993.234 400889.84 111508.325 36331.078 191024.8733333333 145586.8457142857 148677.76666666666 0.0 0.0 172184.78 400889.84 223016.65 0.0 0.0 0.0 0.0 0.0 446033.3 102 546.0 Trp-Pro
547 183.11283286135875 4.544409 29156.897 0.0 145784.485 0.0 0.0 0.0 0.0 0.0 0.0 145784.485 0.0 0.0 0.0 58313.794 0.0 0.0 145784.485 0.0 29156.897 29156.897 0.0 291568.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145784.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145784.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291568.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97189.65666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
548 206.08460658057805 4.544409 13516.842 0.0 67584.21 0.0 0.0 0.0 0.0 0.0 0.0 67584.21 0.0 0.0 0.0 27033.684 0.0 0.0 67584.21 0.0 13516.842 13516.842 0.0 135168.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67584.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67584.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135168.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45056.14000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
549 438.1178359344318 4.550351 10776.894 0.0 0.0 0.0 0.0 53884.47 0.0 53884.47 0.0 0.0 0.0 0.0 53884.47 0.0 21553.788 17961.49 0.0 0.0 10776.894 10776.894 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107768.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53884.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53884.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107768.94 0.0 0.0 35922.98 15395.562857142855 0.0 0.0 0.0 0.0 107768.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
550 613.2024846212425 4.550351 25604.667 0.0 0.0 0.0 0.0 128023.335 0.0 128023.335 0.0 0.0 0.0 0.0 128023.335 0.0 51209.334 42674.445 0.0 0.0 25604.667 25604.667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 256046.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128023.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128023.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 256046.67 0.0 0.0 85348.89 36578.09571428572 0.0 0.0 0.0 0.0 256046.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
551 229.11833184878685 4.5601263 8671.196 0.0 43355.98 0.0 0.0 0.0 0.0 0.0 0.0 43355.98 0.0 0.0 0.0 17342.392 0.0 0.0 43355.98 0.0 8671.196 8671.196 0.0 86711.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43355.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43355.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86711.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28903.986666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
552 741.242470274354 4.565868 8379.236 0.0 0.0 0.0 0.0 41896.18 0.0 41896.18 0.0 0.0 0.0 0.0 41896.18 0.0 16758.472 13965.393333333332 0.0 0.0 8379.236 8379.236 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83792.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41896.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41896.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83792.36 0.0 0.0 27930.786666666667 11970.337142857144 0.0 0.0 0.0 0.0 83792.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
553 222.03164679758123 4.591057 21424.55 0.0 0.0 0.0 0.0 107122.75 0.0 107122.75 0.0 0.0 0.0 0.0 107122.75 42849.1 0.0 35707.583333333336 0.0 0.0 21424.55 21424.55 0.0 0.0 0.0 0.0 214245.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214245.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214245.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214245.5 0.0 0.0 0.0 0.0 0.0 53561.375 0.0 0.0 30606.5 71415.16666666667 0.0 0.0 0.0 0.0 0.0 0.0 214245.5 0.0 0.0 214245.5 0.0 5
554 456.12871834828815 4.5966353 13224.003 0.0 0.0 0.0 0.0 66120.015 0.0 66120.015 0.0 0.0 0.0 0.0 66120.015 0.0 26448.006 22040.005 0.0 0.0 13224.003 13224.003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132240.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66120.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66120.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132240.03 0.0 0.0 44080.01 18891.432857142856 0.0 0.0 0.0 0.0 132240.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
555 330.23870869179046 4.5996203 34536.572 0.0 172682.86 0.0 0.0 0.0 0.0 0.0 0.0 172682.86 0.0 0.0 0.0 0.0 69073.144 0.0 172682.86 0.0 34536.572 34536.572 0.0 0.0 0.0 0.0 0.0 0.0 345365.72 0.0 0.0 0.0 0.0 172682.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172682.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 345365.72 0.0 0.0 0.0 0.0 0.0 115121.90666666666 49337.96 0.0 0.0 345365.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129 555.0 Spectral Match to Thr-Val-Leu from NIST14
556 342.23866501996315 4.5996203 12186.5664 0.0 60932.832 0.0 0.0 0.0 0.0 0.0 0.0 60932.832 0.0 0.0 0.0 0.0 24373.1328 0.0 60932.832 0.0 12186.5664 12186.5664 0.0 0.0 0.0 0.0 0.0 0.0 121865.664 0.0 0.0 0.0 0.0 60932.832 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60932.832 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121865.664 0.0 0.0 0.0 0.0 0.0 40621.888 17409.380571428574 0.0 0.0 121865.664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114
557 586.3087541922199 4.611172 21535.131 0.0 0.0 0.0 107675.655 0.0 107675.655 0.0 0.0 0.0 0.0 107675.655 0.0 43070.262 0.0 35891.885 0.0 0.0 21535.131 21535.131 0.0 0.0 0.0 215351.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 215351.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 215351.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 215351.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71783.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
559 513.186950568064 4.6200266 390226.427 0.0 0.0 91024.135 0.0 1860108.0 0.0 1860108.0 0.0 0.0 91024.135 0.0 1860108.0 36409.654 744043.2 620036.0 0.0 91024.135 390226.427 390226.427 0.0 0.0 182048.27 0.0 0.0 0.0 0.0 0.0 0.0 3720216.0 0.0 0.0 182048.27 0.0 0.0 0.0 0.0 1860108.0 0.0 0.0 182048.27 0.0 0.0 0.0 0.0 1860108.0 0.0 0.0 182048.27 0.0 0.0 0.0 0.0 0.0 0.0 3720216.0 45512.0675 0.0 1240072.0 557466.3242857143 0.0 182048.27 0.0 0.0 3720216.0 0.0 182048.27 0.0 0.0 182048.27 0.0 0.0 -1 559.0 Cer(d18:0/14:0); [M+H]+ C32H66N1O3
560 239.05821227023608 4.622513 20592.383 0.0 0.0 0.0 0.0 102961.915 0.0 102961.915 0.0 0.0 0.0 0.0 102961.915 41184.766 0.0 34320.63833333333 0.0 0.0 20592.383 20592.383 0.0 0.0 0.0 0.0 205923.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205923.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205923.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205923.83 0.0 0.0 0.0 0.0 0.0 51480.9575 0.0 0.0 29417.69 68641.27666666666 0.0 0.0 0.0 0.0 0.0 0.0 205923.83 0.0 0.0 205923.83 0.0 5 560.0 isoetharine
561 362.2106100923701 4.63306 21959.942000000003 0.0 109799.71 0.0 0.0 0.0 0.0 0.0 0.0 109799.71 0.0 0.0 0.0 0.0 43919.884000000005 0.0 109799.71 0.0 21959.942000000003 21959.942000000003 0.0 0.0 0.0 0.0 0.0 0.0 219599.42 0.0 0.0 0.0 0.0 109799.71 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109799.71 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219599.42 0.0 0.0 0.0 0.0 0.0 73199.80666666667 31371.345714285715 0.0 0.0 219599.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
565 194.11755667626943 4.6418514 42707.612 213538.06 0.0 0.0 0.0 0.0 0.0 0.0 213538.06 0.0 0.0 0.0 0.0 0.0 85415.224 71179.35333333333 0.0 0.0 42707.612 42707.612 0.0 0.0 0.0 0.0 0.0 427076.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427076.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427076.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427076.12 0.0 0.0 0.0 0.0 106769.03 0.0 0.0 61010.874285714286 142358.7066666667 0.0 0.0 0.0 0.0 213538.06 0.0 0.0 0.0 0.0 0.0 427076.12 7
566 815.3908974765267 4.6836047 18728.106 93640.53 0.0 0.0 0.0 0.0 0.0 0.0 93640.53 0.0 0.0 0.0 0.0 37456.212 0.0 31213.51 0.0 0.0 18728.106 18728.106 187281.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187281.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187281.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187281.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46820.265 0.0 0.0 26754.437142857143 62427.02 0.0 0.0 0.0 0.0 93640.53 0.0 0.0 187281.06 0.0 0.0 0.0 210
567 397.20790914897606 4.7042494 639085.8400000001 842102.7 0.0 0.0 2353326.5 0.0 2353326.5 0.0 842102.7 0.0 0.0 2353326.5 0.0 1278171.6800000002 0.0 1065143.066666667 0.0 0.0 639085.8400000001 639085.8400000001 1684205.4 0.0 0.0 4706653.0 0.0 0.0 0.0 0.0 0.0 0.0 1684205.4 0.0 0.0 4706653.0 0.0 0.0 0.0 0.0 1684205.4 0.0 0.0 4706653.0 0.0 0.0 0.0 0.0 1684205.4 0.0 0.0 4706653.0 0.0 0.0 0.0 0.0 0.0 0.0 421051.35 1568884.3333333333 0.0 240600.7714285714 561401.7999999999 0.0 0.0 0.0 0.0 842102.7 0.0 0.0 1684205.4 0.0 0.0 0.0 203
568 218.14009965600644 4.7118196 23730.869 0.0 0.0 60108.97 0.0 58545.375 0.0 58545.375 0.0 0.0 60108.97 0.0 58545.375 47461.738 0.0 19515.125 0.0 60108.97 23730.869 23730.869 0.0 0.0 120217.94 0.0 117090.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120217.94 0.0 117090.75 0.0 0.0 0.0 0.0 0.0 120217.94 0.0 117090.75 0.0 0.0 0.0 0.0 0.0 120217.94 0.0 117090.75 0.0 0.0 0.0 0.0 0.0 59327.1725 0.0 0.0 33901.241428571426 39030.25 120217.94 0.0 0.0 0.0 0.0 120217.94 117090.75 0.0 120217.94 117090.75 0.0 224
569 328.2230283292487 4.7153864 11839.093 0.0 59195.465 0.0 0.0 0.0 0.0 0.0 0.0 59195.465 0.0 0.0 0.0 0.0 23678.186 0.0 59195.465 0.0 11839.093 11839.093 0.0 0.0 0.0 0.0 0.0 0.0 118390.93 0.0 0.0 0.0 0.0 59195.465 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59195.465 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118390.93 0.0 0.0 0.0 0.0 0.0 39463.64333333333 16912.989999999998 0.0 0.0 118390.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 361
570 419.1900163926571 4.7193537 81148.704 153480.42 0.0 0.0 252263.1 0.0 252263.1 0.0 153480.42 0.0 0.0 252263.1 0.0 162297.408 0.0 135247.84 0.0 0.0 81148.704 81148.704 306960.84 0.0 0.0 504526.2 0.0 0.0 0.0 0.0 0.0 0.0 306960.84 0.0 0.0 504526.2 0.0 0.0 0.0 0.0 306960.84 0.0 0.0 504526.2 0.0 0.0 0.0 0.0 306960.84 0.0 0.0 504526.2 0.0 0.0 0.0 0.0 0.0 0.0 76740.21 168175.4 0.0 43851.548571428575 102320.28 0.0 0.0 0.0 0.0 153480.42 0.0 0.0 306960.84 0.0 0.0 0.0 210
572 302.20739387731726 4.7344565 37965.317 90806.78 99019.805 0.0 0.0 0.0 0.0 0.0 90806.78 99019.805 0.0 0.0 0.0 0.0 75930.63399999999 30268.926666666663 99019.805 0.0 37965.317 37965.317 0.0 0.0 0.0 0.0 0.0 181613.56 198039.61 0.0 0.0 0.0 0.0 99019.805 0.0 0.0 0.0 181613.56 0.0 0.0 0.0 99019.805 0.0 0.0 0.0 181613.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181613.56 198039.61 0.0 0.0 0.0 45403.39 0.0 66013.20333333332 54236.16714285714 60537.85333333333 0.0 198039.61 0.0 0.0 90806.78 0.0 0.0 0.0 0.0 0.0 181613.56 -1 572.0 Spectral Match to Ile-Gly-Ile from NIST14
574 657.3210992816196 4.7466717 9893.606 49468.03 0.0 0.0 0.0 0.0 0.0 0.0 49468.03 0.0 0.0 0.0 0.0 19787.212 0.0 16489.343333333334 0.0 0.0 9893.606 9893.606 98936.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98936.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98936.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98936.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 24734.015 0.0 0.0 14133.722857142857 32978.68666666667 0.0 0.0 0.0 0.0 49468.03 0.0 0.0 98936.06 0.0 0.0 0.0 38
575 197.107309603278 4.7508116 281261.36 778942.5 627364.3 0.0 0.0 0.0 0.0 0.0 778942.5 627364.3 0.0 0.0 0.0 562522.72 0.0 259647.5 627364.3 0.0 281261.36 281261.36 1557885.0 1254728.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1557885.0 627364.3 0.0 0.0 0.0 0.0 0.0 0.0 1557885.0 627364.3 0.0 0.0 0.0 0.0 0.0 0.0 1557885.0 1254728.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 389471.25 418242.8666666667 0.0 222555.0 519295.0 0.0 0.0 0.0 0.0 778942.5 0.0 0.0 1557885.0 0.0 0.0 0.0 -1 575.0 Massbank:AU243703 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)|2-Amino-3-methylimidazo[4,5-f]quinoline|3-methylimidazo[4,5-f]quinolin-2-amine
577 595.2293042583728 4.769778 14163.386 0.0 0.0 70816.93 0.0 0.0 0.0 0.0 0.0 0.0 70816.93 0.0 0.0 28326.772 0.0 0.0 0.0 70816.93 14163.386 14163.386 0.0 0.0 141633.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141633.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141633.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141633.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35408.465 0.0 0.0 20233.40857142857 0.0 141633.86 0.0 0.0 0.0 0.0 141633.86 0.0 0.0 141633.86 0.0 0.0 74
579 277.11823094237354 4.7825127 162281.31300000002 193175.265 0.0 0.0 618231.3 0.0 618231.3 0.0 193175.265 0.0 0.0 618231.3 0.0 324562.62600000005 0.0 270468.85500000004 0.0 0.0 162281.31300000002 162281.31300000002 386350.53 0.0 0.0 1236462.6 0.0 0.0 0.0 0.0 0.0 0.0 386350.53 0.0 0.0 1236462.6 0.0 0.0 0.0 0.0 386350.53 0.0 0.0 1236462.6 0.0 0.0 0.0 0.0 386350.53 0.0 0.0 1236462.6 0.0 0.0 0.0 0.0 0.0 0.0 96587.6325 412154.2 0.0 55192.93285714286 128783.51 0.0 0.0 0.0 0.0 193175.265 0.0 0.0 386350.53 0.0 0.0 0.0 50 579.0 Spectral Match to PyroGlu-Phe from NIST14
580 536.2812781875235 4.8039145 12335.6555 0.0 61678.2775 0.0 0.0 0.0 0.0 0.0 0.0 61678.2775 0.0 0.0 0.0 24671.311 0.0 0.0 61678.2775 0.0 12335.6555 12335.6555 0.0 123356.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61678.2775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61678.2775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123356.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41118.85166666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267
582 364.2230946024867 4.81204 26450.88 0.0 132254.4 0.0 0.0 0.0 0.0 0.0 0.0 132254.4 0.0 0.0 0.0 0.0 52901.76 0.0 132254.4 0.0 26450.88 26450.88 0.0 0.0 0.0 0.0 0.0 0.0 264508.8 0.0 0.0 0.0 0.0 132254.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132254.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264508.8 0.0 0.0 0.0 0.0 0.0 88169.59999999999 37786.97142857143 0.0 0.0 264508.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11
589 649.2388069308643 4.817182 14331.492000000002 0.0 0.0 0.0 0.0 71657.46 0.0 71657.46 0.0 0.0 0.0 0.0 71657.46 0.0 28662.984000000004 23885.820000000003 0.0 0.0 14331.492000000002 14331.492000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143314.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71657.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71657.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143314.92 0.0 0.0 47771.64000000001 20473.56 0.0 0.0 0.0 0.0 143314.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
596 433.168248488414 4.834114 22300.624 0.0 0.0 0.0 111503.12 0.0 111503.12 0.0 0.0 0.0 0.0 111503.12 0.0 21937.784 22663.464 37167.706666666665 0.0 0.0 22300.624 22300.624 0.0 0.0 0.0 109688.92 0.0 0.0 0.0 0.0 113317.32 0.0 0.0 0.0 0.0 109688.92 0.0 0.0 0.0 56658.66 0.0 0.0 0.0 109688.92 0.0 0.0 0.0 56658.66 0.0 0.0 0.0 109688.92 0.0 0.0 0.0 0.0 113317.32 0.0 0.0 74335.41333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
598 330.202383175473 4.8516226 115570.72999999998 0.0 289385.6 0.0 288468.05 0.0 288468.05 0.0 0.0 289385.6 0.0 288468.05 0.0 231141.46 0.0 96156.01666666666 289385.6 0.0 115570.72999999998 115570.72999999998 0.0 578771.2 0.0 576936.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 289385.6 0.0 576936.1 0.0 0.0 0.0 0.0 0.0 289385.6 0.0 576936.1 0.0 0.0 0.0 0.0 0.0 578771.2 0.0 576936.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 385235.7666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195
599 184.09508202189647 4.874315 55187.36 0.0 0.0 177205.08 98731.72 0.0 98731.72 0.0 0.0 0.0 177205.08 98731.72 0.0 110374.72 0.0 32910.573333333334 0.0 177205.08 55187.36 55187.36 0.0 0.0 354410.16 197463.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 354410.16 197463.44 0.0 0.0 0.0 0.0 0.0 0.0 354410.16 197463.44 0.0 0.0 0.0 0.0 0.0 0.0 354410.16 197463.44 0.0 0.0 0.0 0.0 0.0 0.0 88602.54 65821.14666666667 0.0 50630.02285714285 0.0 354410.16 0.0 0.0 0.0 0.0 354410.16 0.0 0.0 354410.16 0.0 0.0 245
590 279.17032048321755 4.8773265 107708.9 0.0 538544.5 0.0 0.0 0.0 0.0 0.0 0.0 538544.5 0.0 0.0 0.0 0.0 215417.8 0.0 538544.5 0.0 107708.9 107708.9 0.0 0.0 0.0 0.0 0.0 0.0 1077089.0 0.0 0.0 0.0 0.0 538544.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538544.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1077089.0 0.0 0.0 0.0 0.0 0.0 359029.6666666667 153869.85714285713 0.0 0.0 1077089.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 590.0 Spectral Match to Phe-Leu from NIST14
602 609.2444406711729 4.888255 30594.8456 0.0 0.0 35568.758 0.0 117405.47 0.0 117405.47 0.0 0.0 35568.758 0.0 117405.47 14227.5032 46962.188 39135.15666666667 0.0 35568.758 30594.8456 30594.8456 0.0 0.0 71137.516 0.0 0.0 0.0 0.0 0.0 0.0 234810.94 0.0 0.0 71137.516 0.0 0.0 0.0 0.0 117405.47 0.0 0.0 71137.516 0.0 0.0 0.0 0.0 117405.47 0.0 0.0 71137.516 0.0 0.0 0.0 0.0 0.0 0.0 234810.94 17784.379 0.0 78270.31333333334 43706.92228571429 0.0 71137.516 0.0 0.0 234810.94 0.0 71137.516 0.0 0.0 71137.516 0.0 0.0 170
603 280.17381361321367 4.893391 12336.73 0.0 61683.65 0.0 0.0 0.0 0.0 0.0 0.0 61683.65 0.0 0.0 0.0 0.0 24673.46 0.0 61683.65 0.0 12336.73 12336.73 0.0 0.0 0.0 0.0 0.0 0.0 123367.3 0.0 0.0 0.0 0.0 61683.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61683.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123367.3 0.0 0.0 0.0 0.0 0.0 41122.43333333333 17623.9 0.0 0.0 123367.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 603.0 Spectral Match to Leu-Phe from NIST14
607 155.07042620543166 4.927276 31822.23 0.0 0.0 159111.15 0.0 0.0 0.0 0.0 0.0 0.0 159111.15 0.0 0.0 63644.46 0.0 0.0 0.0 159111.15 31822.23 31822.23 0.0 0.0 318222.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318222.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318222.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318222.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79555.575 0.0 0.0 45460.32857142857 0.0 318222.3 0.0 0.0 0.0 0.0 318222.3 0.0 0.0 318222.3 0.0 0.0 2
608 360.19175078091587 4.9391446 308127.079 387972.22 560092.2 129375.365 345109.6 118086.01 345109.6 118086.01 387972.22 560092.2 129375.365 345109.6 118086.01 616254.158 0.0 283722.61 560092.2 129375.365 308127.079 308127.079 775944.44 1120184.4 258750.73 690219.2 236172.02 0.0 0.0 0.0 0.0 0.0 775944.44 560092.2 258750.73 690219.2 236172.02 0.0 0.0 0.0 775944.44 560092.2 258750.73 690219.2 236172.02 0.0 0.0 0.0 775944.44 1120184.4 258750.73 690219.2 236172.02 0.0 0.0 0.0 0.0 0.0 317716.7975 603467.8666666666 0.0 181552.4557142857 337372.1533333333 258750.73 0.0 0.0 0.0 387972.22 258750.73 236172.02 775944.44 258750.73 236172.02 0.0 311
609 567.1973319178564 4.9438252 27726.944 0.0 0.0 0.0 0.0 138634.72 0.0 138634.72 0.0 0.0 0.0 0.0 138634.72 0.0 55453.888 46211.57333333333 0.0 0.0 27726.944 27726.944 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277269.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138634.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138634.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 277269.44 0.0 0.0 92423.14666666668 39609.92 0.0 0.0 0.0 0.0 277269.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115 609.0 Cer(d18:0/18:0); [M+H]+ C36H74N1O3
610 318.18114732197887 4.946726 15809.7 79048.5 0.0 0.0 0.0 0.0 0.0 0.0 79048.5 0.0 0.0 0.0 0.0 0.0 31619.4 26349.5 0.0 0.0 15809.7 15809.7 0.0 0.0 0.0 0.0 0.0 158097.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158097.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158097.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158097.0 0.0 0.0 0.0 0.0 39524.25 0.0 0.0 22585.285714285717 52699.0 0.0 0.0 0.0 0.0 79048.5 0.0 0.0 0.0 0.0 0.0 158097.0 61 610.0 Spectral Match to Ile-Trp from NIST14
611 360.2128740807061 4.946726 12524.987 62624.935 0.0 0.0 0.0 0.0 0.0 0.0 62624.935 0.0 0.0 0.0 0.0 0.0 25049.974 20874.978333333333 0.0 0.0 12524.987 12524.987 0.0 0.0 0.0 0.0 0.0 125249.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125249.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125249.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125249.87 0.0 0.0 0.0 0.0 31312.4675 0.0 0.0 17892.838571428572 41749.956666666665 0.0 0.0 0.0 0.0 62624.935 0.0 0.0 0.0 0.0 0.0 125249.87 -1
612 427.2914925109581 4.946726 35346.08 176730.4 0.0 0.0 0.0 0.0 0.0 0.0 176730.4 0.0 0.0 0.0 0.0 0.0 70692.16 58910.13333333333 0.0 0.0 35346.08 35346.08 0.0 0.0 0.0 0.0 0.0 353460.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353460.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353460.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353460.8 0.0 0.0 0.0 0.0 88365.2 0.0 0.0 50494.4 117820.26666666666 0.0 0.0 0.0 0.0 176730.4 0.0 0.0 0.0 0.0 0.0 353460.8 287
613 507.5965552733432 4.946726 44527.466 222637.33 0.0 0.0 0.0 0.0 0.0 0.0 222637.33 0.0 0.0 0.0 0.0 0.0 89054.932 74212.44333333333 0.0 0.0 44527.466 44527.466 0.0 0.0 0.0 0.0 0.0 445274.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 445274.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 445274.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 445274.66 0.0 0.0 0.0 0.0 111318.665 0.0 0.0 63610.66571428571 148424.88666666666 0.0 0.0 0.0 0.0 222637.33 0.0 0.0 0.0 0.0 0.0 445274.66 -1
614 231.12316436309143 4.9488606 16239.952 0.0 81199.76 0.0 0.0 0.0 0.0 0.0 0.0 81199.76 0.0 0.0 0.0 32479.904 0.0 0.0 81199.76 0.0 16239.952 16239.952 0.0 162399.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81199.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81199.76 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162399.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54133.17333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
617 211.1441250338141 4.9744225 3845283.65 2467232.75 6816749.0 2038576.0 7903860.5 0.0 7903860.5 0.0 2467232.75 6816749.0 2038576.0 7903860.5 0.0 7690567.3 0.0 3457031.083333333 6816749.0 2038576.0 3845283.65 3845283.65 4934465.5 13633498.0 4077152.0 15807721.0 0.0 0.0 0.0 0.0 0.0 0.0 4934465.5 6816749.0 4077152.0 15807721.0 0.0 0.0 0.0 0.0 4934465.5 6816749.0 4077152.0 15807721.0 0.0 0.0 0.0 0.0 4934465.5 13633498.0 4077152.0 15807721.0 0.0 0.0 0.0 0.0 0.0 0.0 2252904.375 9813739.666666666 0.0 1287373.9285714286 1644821.8333333333 4077152.0 0.0 0.0 0.0 2467232.75 4077152.0 0.0 4934465.5 4077152.0 0.0 0.0 40 617.0 Massbank:PR311142 Cyclo(leucylprolyl)
618 212.14740969295767 4.975623 417925.932 0.0 789127.95 224927.47 906300.3 169273.94 906300.3 169273.94 0.0 789127.95 224927.47 906300.3 169273.94 835851.864 0.0 358524.74666666664 789127.95 224927.47 417925.932 417925.932 0.0 1578255.9 449854.94 1812600.6 338547.88 0.0 0.0 0.0 0.0 0.0 0.0 789127.95 449854.94 1812600.6 338547.88 0.0 0.0 0.0 0.0 789127.95 449854.94 1812600.6 338547.88 0.0 0.0 0.0 0.0 1578255.9 449854.94 1812600.6 338547.88 0.0 0.0 0.0 0.0 0.0 197100.705 1130285.5 0.0 112628.9742857143 112849.29333333332 449854.94 0.0 0.0 0.0 0.0 449854.94 338547.88 0.0 449854.94 338547.88 0.0 40 618.0 Massbank:PR300811 Cyclo(proline-leucine)
619 627.2545462706127 4.9762936 22493.817000000003 0.0 0.0 112469.085 0.0 0.0 0.0 0.0 0.0 0.0 112469.085 0.0 0.0 0.0 44987.634000000005 0.0 0.0 112469.085 22493.817000000003 22493.817000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 224938.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 224938.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 224938.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 224938.17 0.0 0.0 0.0 0.0 74979.39 32134.024285714288 0.0 0.0 0.0 224938.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
620 352.09517946944493 4.987204 54640.96 0.0 112534.45 0.0 160670.35 0.0 160670.35 0.0 0.0 112534.45 0.0 160670.35 0.0 109281.92 0.0 53556.78333333333 112534.45 0.0 54640.96 54640.96 0.0 225068.9 0.0 321340.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 112534.45 0.0 321340.7 0.0 0.0 0.0 0.0 0.0 112534.45 0.0 321340.7 0.0 0.0 0.0 0.0 0.0 225068.9 0.0 321340.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182136.53333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49
621 336.12293483606226 4.9894466 38171.05 0.0 0.0 0.0 104580.28 86274.97 104580.28 86274.97 0.0 0.0 0.0 104580.28 86274.97 76342.1 0.0 63618.41666666666 0.0 0.0 38171.05 38171.05 0.0 0.0 0.0 209160.56 172549.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209160.56 172549.94 0.0 0.0 0.0 0.0 0.0 0.0 209160.56 172549.94 0.0 0.0 0.0 0.0 0.0 0.0 209160.56 172549.94 0.0 0.0 0.0 0.0 0.0 43137.485 69720.18666666666 0.0 24649.99142857143 57516.64666666667 0.0 0.0 0.0 0.0 0.0 0.0 172549.94 0.0 0.0 172549.94 0.0 75
622 186.5888367108741 4.9972315 52635.05 0.0 0.0 0.0 132070.375 131104.875 132070.375 131104.875 0.0 0.0 0.0 132070.375 131104.875 105270.1 0.0 87725.08333333333 0.0 0.0 52635.05 52635.05 0.0 0.0 0.0 264140.75 262209.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264140.75 262209.75 0.0 0.0 0.0 0.0 0.0 0.0 264140.75 262209.75 0.0 0.0 0.0 0.0 0.0 0.0 264140.75 262209.75 0.0 0.0 0.0 0.0 0.0 65552.4375 88046.91666666667 0.0 37458.53571428572 87403.25 0.0 0.0 0.0 0.0 0.0 0.0 262209.75 0.0 0.0 262209.75 0.0 14
626 166.07555166455 5.0001206 14144.722 0.0 0.0 0.0 0.0 70723.61 0.0 70723.61 0.0 0.0 0.0 0.0 70723.61 28289.444 0.0 23574.536666666667 0.0 0.0 14144.722 14144.722 0.0 0.0 0.0 0.0 141447.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141447.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141447.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141447.22 0.0 0.0 0.0 0.0 0.0 35361.805 0.0 0.0 20206.745714285717 47149.07333333333 0.0 0.0 0.0 0.0 0.0 0.0 141447.22 0.0 0.0 141447.22 0.0 14
627 175.08086379331925 5.009657 19735.716 0.0 0.0 0.0 98678.58 0.0 98678.58 0.0 0.0 0.0 0.0 98678.58 0.0 39471.432 0.0 32892.86 0.0 0.0 19735.716 19735.716 0.0 0.0 0.0 197357.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197357.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197357.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197357.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65785.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
628 437.2394756471244 5.009657 118891.82 0.0 0.0 0.0 594459.1 0.0 594459.1 0.0 0.0 0.0 0.0 594459.1 0.0 237783.64 0.0 198153.03333333333 0.0 0.0 118891.82 118891.82 0.0 0.0 0.0 1188918.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1188918.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1188918.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1188918.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 396306.06666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203
629 459.2214648385315 5.009657 20140.71 0.0 0.0 0.0 100703.55 0.0 100703.55 0.0 0.0 0.0 0.0 100703.55 0.0 40281.42 0.0 33567.85 0.0 0.0 20140.71 20140.71 0.0 0.0 0.0 201407.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201407.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201407.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201407.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67135.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 210
630 514.1707539512298 5.038169 18820.74 0.0 0.0 0.0 0.0 94103.7 0.0 94103.7 0.0 0.0 0.0 0.0 94103.7 0.0 37641.48 31367.9 0.0 0.0 18820.74 18820.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188207.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94103.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94103.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188207.4 0.0 0.0 62735.8 26886.77142857143 0.0 0.0 0.0 0.0 188207.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
631 311.6451418319429 5.040637 22371.378 0.0 0.0 0.0 111856.89 0.0 111856.89 0.0 0.0 0.0 0.0 111856.89 0.0 44742.756 0.0 37285.63 0.0 0.0 22371.378 22371.378 0.0 0.0 0.0 223713.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223713.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223713.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223713.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74571.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
633 316.1291945223753 5.049466 40815.724 65178.67 0.0 0.0 138899.95 0.0 138899.95 0.0 65178.67 0.0 0.0 138899.95 0.0 81631.448 0.0 68026.20666666667 0.0 0.0 40815.724 40815.724 130357.34 0.0 0.0 277799.9 0.0 0.0 0.0 0.0 0.0 0.0 130357.34 0.0 0.0 277799.9 0.0 0.0 0.0 0.0 130357.34 0.0 0.0 277799.9 0.0 0.0 0.0 0.0 130357.34 0.0 0.0 277799.9 0.0 0.0 0.0 0.0 0.0 0.0 32589.335 92599.96666666667 0.0 18622.477142857144 43452.44666666666 0.0 0.0 0.0 0.0 65178.67 0.0 0.0 130357.34 0.0 0.0 0.0 61 633.0 Oglufanide
634 710.255691602623 5.0694385 74719.856 0.0 0.0 0.0 0.0 373599.28 0.0 373599.28 0.0 0.0 0.0 0.0 373599.28 0.0 149439.712 124533.09333333334 0.0 0.0 74719.856 74719.856 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 747198.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373599.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373599.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 747198.56 0.0 0.0 249066.18666666668 106742.65142857144 0.0 0.0 0.0 0.0 747198.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
635 240.60812154120111 5.071761 41670.35 0.0 0.0 0.0 208351.75 0.0 208351.75 0.0 0.0 0.0 0.0 208351.75 0.0 83340.7 0.0 69450.58333333333 0.0 0.0 41670.35 41670.35 0.0 0.0 0.0 416703.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 416703.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 416703.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 416703.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138901.16666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
638 374.17095529337655 5.096677 53265.594 172534.83 0.0 0.0 93793.14 0.0 93793.14 0.0 172534.83 0.0 0.0 93793.14 0.0 106531.188 0.0 88775.98999999999 0.0 0.0 53265.594 53265.594 345069.66 0.0 0.0 187586.28 0.0 0.0 0.0 0.0 0.0 0.0 345069.66 0.0 0.0 187586.28 0.0 0.0 0.0 0.0 345069.66 0.0 0.0 187586.28 0.0 0.0 0.0 0.0 345069.66 0.0 0.0 187586.28 0.0 0.0 0.0 0.0 0.0 0.0 86267.415 62528.76 0.0 49295.66571428571 115023.22 0.0 0.0 0.0 0.0 172534.83 0.0 0.0 345069.66 0.0 0.0 0.0 27
639 393.16893559442894 5.1077604 60287.58400000001 0.0 301437.92000000004 0.0 0.0 0.0 0.0 0.0 0.0 301437.92000000004 0.0 0.0 0.0 72581.84 47993.328 0.0 301437.92000000004 0.0 60287.58400000001 60287.58400000001 0.0 362909.2 0.0 0.0 0.0 0.0 239966.64 0.0 0.0 0.0 0.0 301437.92000000004 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301437.92000000004 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362909.2 0.0 0.0 0.0 0.0 239966.64 0.0 0.0 0.0 0.0 120969.73333333334 79988.88 34280.94857142858 0.0 0.0 239966.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257
640 263.105917105503 5.109978 12538.92 0.0 62694.6 0.0 0.0 0.0 0.0 0.0 0.0 62694.6 0.0 0.0 0.0 25077.84 0.0 0.0 62694.6 0.0 12538.92 12538.92 0.0 125389.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62694.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62694.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125389.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41796.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257
641 415.1508762917023 5.109978 32023.94 0.0 160119.7 0.0 0.0 0.0 0.0 0.0 0.0 160119.7 0.0 0.0 0.0 64047.880000000005 0.0 0.0 160119.7 0.0 32023.94 32023.94 0.0 320239.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160119.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160119.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 320239.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106746.46666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 207
642 372.1919353297339 5.119553 11901.4125 0.0 0.0 0.0 59507.0625 0.0 59507.0625 0.0 0.0 0.0 0.0 59507.0625 0.0 23802.825 0.0 19835.6875 0.0 0.0 11901.4125 11901.4125 0.0 0.0 0.0 119014.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119014.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119014.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119014.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39671.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 311
643 215.1178206899912 5.1208944 18542.353 92711.765 0.0 0.0 0.0 0.0 0.0 0.0 92711.765 0.0 0.0 0.0 0.0 37084.706 0.0 30903.921666666665 0.0 0.0 18542.353 18542.353 185423.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185423.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185423.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 185423.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46355.8825 0.0 0.0 26489.075714285715 61807.84333333333 0.0 0.0 0.0 0.0 92711.765 0.0 0.0 185423.53 0.0 0.0 0.0 171
644 354.23895612435604 5.125382 17873.685999999998 0.0 0.0 0.0 89368.43 0.0 89368.43 0.0 0.0 0.0 0.0 89368.43 0.0 0.0 35747.372 29789.476666666666 0.0 0.0 17873.685999999998 17873.685999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178736.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89368.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89368.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178736.86 0.0 0.0 59578.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337
645 243.1127623822283 5.13644 46625.072 233125.36 0.0 0.0 0.0 0.0 0.0 0.0 233125.36 0.0 0.0 0.0 0.0 93250.144 0.0 77708.45333333332 0.0 0.0 46625.072 46625.072 466250.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 466250.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 466250.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 466250.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116562.68 0.0 0.0 66607.24571428572 155416.90666666665 0.0 0.0 0.0 0.0 233125.36 0.0 0.0 466250.72 0.0 0.0 0.0 171
646 537.223627270408 5.1419277 39055.074 0.0 0.0 58653.245 0.0 136622.125 0.0 136622.125 0.0 0.0 58653.245 0.0 136622.125 23461.298000000003 54648.85 45540.708333333336 0.0 58653.245 39055.074 39055.074 0.0 0.0 117306.49 0.0 0.0 0.0 0.0 0.0 0.0 273244.25 0.0 0.0 117306.49 0.0 0.0 0.0 0.0 136622.125 0.0 0.0 117306.49 0.0 0.0 0.0 0.0 136622.125 0.0 0.0 117306.49 0.0 0.0 0.0 0.0 0.0 0.0 273244.25 29326.6225 0.0 91081.41666666669 55792.962857142855 0.0 117306.49 0.0 0.0 273244.25 0.0 117306.49 0.0 0.0 117306.49 0.0 0.0 -1
647 294.1335115712245 5.148844 12727.158 0.0 0.0 0.0 0.0 63635.79 0.0 63635.79 0.0 0.0 0.0 0.0 63635.79 0.0 25454.316 21211.93 0.0 0.0 12727.158 12727.158 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127271.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63635.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63635.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127271.58 0.0 0.0 42423.86 18181.654285714285 0.0 0.0 0.0 0.0 127271.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
648 342.2387324783716 5.1536155 10835.743 0.0 54178.715 0.0 0.0 0.0 0.0 0.0 0.0 54178.715 0.0 0.0 0.0 0.0 21671.486 0.0 54178.715 0.0 10835.743 10835.743 0.0 0.0 0.0 0.0 0.0 0.0 108357.43 0.0 0.0 0.0 0.0 54178.715 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54178.715 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108357.43 0.0 0.0 0.0 0.0 0.0 36119.14333333333 15479.632857142857 0.0 0.0 108357.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 96
649 326.1767148606098 5.157375 12057.5375 0.0 0.0 0.0 60287.6875 0.0 60287.6875 0.0 0.0 0.0 0.0 60287.6875 0.0 0.0 24115.075 20095.89583333333 0.0 0.0 12057.5375 12057.5375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120575.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60287.6875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60287.6875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120575.375 0.0 0.0 40191.79166666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
650 595.2288817194609 5.1692376 234134.431 0.0 0.0 205313.155 0.0 965359.0 0.0 965359.0 0.0 0.0 205313.155 0.0 965359.0 55275.85 412993.012 321786.3333333333 0.0 205313.155 234134.431 234134.431 0.0 0.0 276379.25 0.0 0.0 0.0 0.0 134247.06 0.0 1930718.0 0.0 0.0 276379.25 0.0 0.0 0.0 134247.06 965359.0 0.0 0.0 276379.25 0.0 0.0 0.0 134247.06 965359.0 0.0 0.0 276379.25 0.0 0.0 0.0 0.0 134247.06 0.0 1930718.0 69094.8125 0.0 688321.6866666666 334477.7585714286 0.0 276379.25 0.0 134247.06 1930718.0 0.0 276379.25 0.0 0.0 276379.25 0.0 0.0 74
651 313.1547373002451 5.169709 16884.089 0.0 84420.445 0.0 0.0 0.0 0.0 0.0 0.0 84420.445 0.0 0.0 0.0 0.0 33768.178 0.0 84420.445 0.0 16884.089 16884.089 0.0 0.0 0.0 0.0 0.0 0.0 168840.89 0.0 0.0 0.0 0.0 84420.445 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84420.445 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168840.89 0.0 0.0 0.0 0.0 0.0 56280.29666666667 24120.127142857145 0.0 0.0 168840.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7 651.0 Spectral Match to Phe-Phe from NIST14
652 439.2915265125175 5.1899767 40882.316 204411.58 0.0 0.0 0.0 0.0 0.0 0.0 204411.58 0.0 0.0 0.0 0.0 0.0 81764.632 68137.19333333333 0.0 0.0 40882.316 40882.316 0.0 0.0 0.0 0.0 0.0 408823.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408823.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408823.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408823.16 0.0 0.0 0.0 0.0 102205.79 0.0 0.0 58403.30857142857 136274.38666666666 0.0 0.0 0.0 0.0 204411.58 0.0 0.0 0.0 0.0 0.0 408823.16 -1
653 257.18598065634785 5.1919627 14539.16 0.0 0.0 72695.8 0.0 0.0 0.0 0.0 0.0 0.0 72695.8 0.0 0.0 0.0 29078.32 0.0 0.0 72695.8 14539.16 14539.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145391.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145391.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145391.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145391.6 0.0 0.0 0.0 0.0 48463.86666666667 20770.22857142857 0.0 0.0 0.0 145391.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 361
654 330.2387762276609 5.2031336 23037.388 0.0 115186.94 0.0 0.0 0.0 0.0 0.0 0.0 115186.94 0.0 0.0 0.0 0.0 46074.776 0.0 115186.94 0.0 23037.388 23037.388 0.0 0.0 0.0 0.0 0.0 0.0 230373.88 0.0 0.0 0.0 0.0 115186.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115186.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230373.88 0.0 0.0 0.0 0.0 0.0 76791.29333333333 32910.55428571429 0.0 0.0 230373.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11
661 296.6400408253486 5.250099 23737.572 0.0 0.0 0.0 118687.86 0.0 118687.86 0.0 0.0 0.0 0.0 118687.86 0.0 47475.144 0.0 39562.62 0.0 0.0 23737.572 23737.572 0.0 0.0 0.0 237375.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237375.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237375.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237375.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79125.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
664 208.06035738583293 5.330749 474567.35 0.0 0.0 0.0 2372836.75 0.0 2372836.75 0.0 0.0 0.0 0.0 2372836.75 0.0 949134.7 0.0 790945.5833333334 0.0 0.0 474567.35 474567.35 0.0 0.0 0.0 4745673.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4745673.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4745673.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4745673.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1581891.1666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
665 209.06365091659657 5.330749 46972.006 0.0 0.0 0.0 234860.03 0.0 234860.03 0.0 0.0 0.0 0.0 234860.03 0.0 93944.012 0.0 78286.67666666667 0.0 0.0 46972.006 46972.006 0.0 0.0 0.0 469720.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469720.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469720.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469720.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156573.35333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
666 239.07898084668545 5.3378406 17429.248 0.0 87146.24 0.0 0.0 0.0 0.0 0.0 0.0 87146.24 0.0 0.0 0.0 34858.496 0.0 0.0 87146.24 0.0 17429.248 17429.248 0.0 174292.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87146.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87146.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174292.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 58097.49333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
667 303.64751042261105 5.3465786 671772.4 0.0 0.0 0.0 3358862.0 0.0 3358862.0 0.0 0.0 0.0 0.0 3358862.0 0.0 1343544.8 0.0 1119620.6666666667 0.0 0.0 671772.4 671772.4 0.0 0.0 0.0 6717724.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6717724.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6717724.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6717724.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2239241.333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 239
668 318.1812205854503 5.35106 23254.458 0.0 116272.29 0.0 0.0 0.0 0.0 0.0 0.0 116272.29 0.0 0.0 0.0 0.0 46508.916 0.0 116272.29 0.0 23254.458 23254.458 0.0 0.0 0.0 0.0 0.0 0.0 232544.58 0.0 0.0 0.0 0.0 116272.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116272.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 232544.58 0.0 0.0 0.0 0.0 0.0 77514.86 33220.654285714285 0.0 0.0 232544.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102
669 263.09150692842974 5.356623 190776.932 0.0 0.0 886347.1 0.0 67537.56 0.0 67537.56 0.0 0.0 886347.1 0.0 67537.56 354538.84 27015.024 22512.52 0.0 886347.1 190776.932 190776.932 0.0 0.0 1772694.2 0.0 0.0 0.0 0.0 0.0 0.0 135075.12 0.0 0.0 1772694.2 0.0 0.0 0.0 0.0 67537.56 0.0 0.0 1772694.2 0.0 0.0 0.0 0.0 67537.56 0.0 0.0 1772694.2 0.0 0.0 0.0 0.0 0.0 0.0 135075.12 443173.55 0.0 45025.04 272538.47428571427 0.0 1772694.2 0.0 0.0 135075.12 0.0 1772694.2 0.0 0.0 1772694.2 0.0 0.0 38
670 231.0653847063289 5.3584437 36622.284 0.0 0.0 183111.42 0.0 0.0 0.0 0.0 0.0 0.0 183111.42 0.0 0.0 73244.568 0.0 0.0 0.0 183111.42 36622.284 36622.284 0.0 0.0 366222.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 366222.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 366222.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 366222.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91555.71 0.0 0.0 52317.548571428575 0.0 366222.84 0.0 0.0 0.0 0.0 366222.84 0.0 0.0 366222.84 0.0 0.0 38
671 547.1578407343948 5.3584437 111572.19 0.0 0.0 557860.95 0.0 0.0 0.0 0.0 0.0 0.0 557860.95 0.0 0.0 223144.38 0.0 0.0 0.0 557860.95 111572.19 111572.19 0.0 0.0 1115721.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1115721.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1115721.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1115721.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 278930.475 0.0 0.0 159388.84285714285 0.0 1115721.9 0.0 0.0 0.0 0.0 1115721.9 0.0 0.0 1115721.9 0.0 0.0 -1
672 606.2877929506179 5.363189 222248.4 0.0 0.0 0.0 1111242.0 0.0 1111242.0 0.0 0.0 0.0 0.0 1111242.0 0.0 444496.8 0.0 370414.0 0.0 0.0 222248.4 222248.4 0.0 0.0 0.0 2222484.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2222484.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2222484.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2222484.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 740828.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1
673 628.269707041714 5.363189 36271.08 0.0 0.0 0.0 181355.4 0.0 181355.4 0.0 0.0 0.0 0.0 181355.4 0.0 72542.16 0.0 60451.8 0.0 0.0 36271.08 36271.08 0.0 0.0 0.0 362710.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362710.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362710.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362710.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120903.6 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 -1
674 732.4023598507961 5.363189 20020.983 0.0 0.0 0.0 100104.915 0.0 100104.915 0.0 0.0 0.0 0.0 100104.915 0.0 40041.966 0.0 33368.305 0.0 0.0 20020.983 20020.983 0.0 0.0 0.0 200209.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200209.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200209.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200209.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66736.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267
676 246.1317115453564 5.371083 215072.38 0.0 1075361.9 0.0 0.0 0.0 0.0 0.0 0.0 1075361.9 0.0 0.0 0.0 430144.76 0.0 0.0 1075361.9 0.0 215072.38 215072.38 0.0 2150723.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1075361.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1075361.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2150723.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 716907.9333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 676.0 Spectral Match to Phe-Pro from NIST14
677 565.218033496967 5.372302 27534.025 0.0 0.0 0.0 0.0 137670.125 0.0 137670.125 0.0 0.0 0.0 0.0 137670.125 0.0 55068.05 45890.04166666666 0.0 0.0 27534.025 27534.025 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 275340.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 137670.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 137670.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 275340.25 0.0 0.0 91780.08333333331 39334.32142857143 0.0 0.0 0.0 0.0 275340.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
678 308.1495404325742 5.3739386 21468.273 0.0 0.0 107341.365 0.0 0.0 0.0 0.0 0.0 0.0 107341.365 0.0 0.0 42936.546 0.0 0.0 0.0 107341.365 21468.273 21468.273 0.0 0.0 214682.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214682.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214682.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214682.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53670.6825 0.0 0.0 30668.96142857143 0.0 214682.73 0.0 0.0 0.0 0.0 214682.73 0.0 0.0 214682.73 0.0 0.0 38
679 461.2368779583192 5.3765726 35591.9766 118006.875 0.0 0.0 59953.008 0.0 59953.008 0.0 118006.875 0.0 0.0 59953.008 0.0 71183.9532 0.0 59319.961 0.0 0.0 35591.9766 35591.9766 236013.75 0.0 0.0 119906.016 0.0 0.0 0.0 0.0 0.0 0.0 236013.75 0.0 0.0 119906.016 0.0 0.0 0.0 0.0 236013.75 0.0 0.0 119906.016 0.0 0.0 0.0 0.0 236013.75 0.0 0.0 119906.016 0.0 0.0 0.0 0.0 0.0 0.0 59003.4375 39968.672 0.0 33716.25 78671.25 0.0 0.0 0.0 0.0 118006.875 0.0 0.0 236013.75 0.0 0.0 0.0 210
675 245.12831507610431 5.3823037 3076346.2 0.0 7246329.5 0.0 8135401.5 0.0 8135401.5 0.0 0.0 7246329.5 0.0 8135401.5 0.0 6152692.4 0.0 2711800.5 7246329.5 0.0 3076346.2 3076346.2 0.0 14492659.0 0.0 16270803.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7246329.5 0.0 16270803.0 0.0 0.0 0.0 0.0 0.0 7246329.5 0.0 16270803.0 0.0 0.0 0.0 0.0 0.0 14492659.0 0.0 16270803.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10254487.333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 675.0 Spectral Match to Phe-Pro from NIST14
680 264.1017196155925 5.3823037 57186.14399999999 0.0 71190.735 0.0 214739.985 0.0 214739.985 0.0 0.0 71190.735 0.0 214739.985 0.0 114372.288 0.0 71579.995 71190.735 0.0 57186.14399999999 57186.14399999999 0.0 142381.47 0.0 429479.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71190.735 0.0 429479.97 0.0 0.0 0.0 0.0 0.0 71190.735 0.0 429479.97 0.0 0.0 0.0 0.0 0.0 142381.47 0.0 429479.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190620.48 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 -1
681 345.0529245984044 5.3823037 58643.380000000005 0.0 126436.1 0.0 166780.8 0.0 166780.8 0.0 0.0 126436.1 0.0 166780.8 0.0 117286.76 0.0 55593.6 126436.1 0.0 58643.380000000005 58643.380000000005 0.0 252872.2 0.0 333561.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126436.1 0.0 333561.6 0.0 0.0 0.0 0.0 0.0 126436.1 0.0 333561.6 0.0 0.0 0.0 0.0 0.0 252872.2 0.0 333561.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195477.93333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355
682 439.2548126551199 5.3843484 133877.396 247785.45 0.0 0.0 421601.53 0.0 421601.53 0.0 247785.45 0.0 0.0 421601.53 0.0 267754.792 0.0 223128.9933333333 0.0 0.0 133877.396 133877.396 495570.9 0.0 0.0 843203.06 0.0 0.0 0.0 0.0 0.0 0.0 495570.9 0.0 0.0 843203.06 0.0 0.0 0.0 0.0 495570.9 0.0 0.0 843203.06 0.0 0.0 0.0 0.0 495570.9 0.0 0.0 843203.06 0.0 0.0 0.0 0.0 0.0 0.0 123892.725 281067.6866666667 0.0 70795.84285714287 165190.30000000002 0.0 0.0 0.0 0.0 247785.45 0.0 0.0 495570.9 0.0 0.0 0.0 96
683 285.073344550688 5.384648 441859.6999999999 0.0 0.0 2096228.365 0.0 113070.135 0.0 113070.135 0.0 0.0 2096228.365 0.0 113070.135 813300.5599999999 70418.84 37690.045 0.0 2096228.365 441859.6999999999 441859.6999999999 0.0 0.0 4066502.8 0.0 0.0 0.0 0.0 125953.93 0.0 226140.27 0.0 0.0 4066502.8 0.0 0.0 0.0 125953.93 113070.135 0.0 0.0 4066502.8 0.0 0.0 0.0 125953.93 113070.135 0.0 0.0 4066502.8 0.0 0.0 0.0 0.0 125953.93 0.0 226140.27 1016625.7 0.0 117364.73333333332 631228.1428571428 0.0 4066502.8 0.0 125953.93 226140.27 0.0 4066502.8 0.0 0.0 4066502.8 0.0 0.0 30
684 183.06772996799504 5.3876696 62814.045 0.0 0.0 0.0 208775.31 105294.915 208775.31 105294.915 0.0 0.0 0.0 208775.31 105294.915 125628.09 0.0 104690.075 0.0 0.0 62814.045 62814.045 0.0 0.0 0.0 417550.62 210589.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 417550.62 210589.83 0.0 0.0 0.0 0.0 0.0 0.0 417550.62 210589.83 0.0 0.0 0.0 0.0 0.0 0.0 417550.62 210589.83 0.0 0.0 0.0 0.0 0.0 52647.4575 139183.54 0.0 30084.261428571423 70196.61 0.0 0.0 0.0 0.0 0.0 0.0 210589.83 0.0 0.0 210589.83 0.0 14
685 171.55970307913665 5.3935246 18447.705 0.0 0.0 0.0 92238.525 0.0 92238.525 0.0 0.0 0.0 0.0 92238.525 0.0 36895.41 0.0 30746.175 0.0 0.0 18447.705 18447.705 0.0 0.0 0.0 184477.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184477.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184477.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184477.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61492.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
686 175.07897990890862 5.3935246 10841.57 0.0 0.0 0.0 54207.85 0.0 54207.85 0.0 0.0 0.0 0.0 54207.85 0.0 21683.14 0.0 18069.283333333333 0.0 0.0 10841.57 10841.57 0.0 0.0 0.0 108415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36138.566666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
687 295.6500574406427 5.3935246 70535.99399999999 0.0 0.0 0.0 352679.97 0.0 352679.97 0.0 0.0 0.0 0.0 352679.97 0.0 141071.98799999998 0.0 117559.99 0.0 0.0 70535.99399999999 70535.99399999999 0.0 0.0 0.0 705359.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 705359.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 705359.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 705359.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235119.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 239
688 590.2930708077745 5.3935246 32418.275 0.0 0.0 0.0 162091.375 0.0 162091.375 0.0 0.0 0.0 0.0 162091.375 0.0 64836.55 0.0 54030.458333333336 0.0 0.0 32418.275 32418.275 0.0 0.0 0.0 324182.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 324182.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 324182.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 324182.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108060.91666666669 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1
689 329.080702423616 5.3953204 32119.146 0.0 0.0 0.0 103054.89 57540.84 103054.89 57540.84 0.0 0.0 0.0 103054.89 57540.84 64238.292 0.0 53531.91 0.0 0.0 32119.146 32119.146 0.0 0.0 0.0 206109.78 115081.68 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206109.78 115081.68 0.0 0.0 0.0 0.0 0.0 0.0 206109.78 115081.68 0.0 0.0 0.0 0.0 0.0 0.0 206109.78 115081.68 0.0 0.0 0.0 0.0 0.0 28770.42 68703.26 0.0 16440.239999999998 38360.56 0.0 0.0 0.0 0.0 0.0 0.0 115081.68 0.0 0.0 115081.68 0.0 355
690 162.5544599447971 5.4087763 18959.527 0.0 0.0 0.0 94797.635 0.0 94797.635 0.0 0.0 0.0 0.0 94797.635 0.0 37919.054 0.0 31599.211666666662 0.0 0.0 18959.527 18959.527 0.0 0.0 0.0 189595.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189595.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189595.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189595.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63198.42333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
691 255.06522512702776 5.41777 25112.527 125562.635 0.0 0.0 0.0 0.0 0.0 0.0 125562.635 0.0 0.0 0.0 0.0 0.0 50225.054 41854.21166666666 0.0 0.0 25112.527 25112.527 0.0 0.0 0.0 0.0 0.0 251125.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 251125.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 251125.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 251125.27 0.0 0.0 0.0 0.0 62781.3175 0.0 0.0 35875.03857142857 83708.42333333332 0.0 0.0 0.0 0.0 125562.635 0.0 0.0 0.0 0.0 0.0 251125.27 34 691.0 Massbank:LU093705 Daidzein
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695 1122.4083634568165 5.4643264 57741.01 0.0 0.0 0.0 0.0 288705.05 0.0 288705.05 0.0 0.0 0.0 0.0 288705.05 0.0 115482.02 96235.01666666666 0.0 0.0 57741.01 57741.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 577410.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 288705.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 288705.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 577410.1 0.0 0.0 192470.03333333333 82487.15714285713 0.0 0.0 0.0 0.0 577410.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209
696 497.1630679161868 5.478859 53597.375 0.0 0.0 0.0 0.0 267986.875 0.0 267986.875 0.0 0.0 0.0 0.0 267986.875 0.0 107194.75 89328.95833333333 0.0 0.0 53597.375 53597.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 535973.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267986.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 267986.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 535973.75 0.0 0.0 178657.91666666666 76567.67857142857 0.0 0.0 0.0 0.0 535973.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
697 995.3431863390608 5.478859 84744.97 0.0 0.0 0.0 0.0 423724.85 0.0 423724.85 0.0 0.0 0.0 0.0 423724.85 0.0 169489.94 141241.61666666667 0.0 0.0 84744.97 84744.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 847449.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423724.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423724.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 847449.7 0.0 0.0 282483.23333333334 121064.24285714285 0.0 0.0 0.0 0.0 847449.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
698 1012.3713149684638 5.478859 13114.461 0.0 0.0 0.0 0.0 65572.305 0.0 65572.305 0.0 0.0 0.0 0.0 65572.305 0.0 26228.922 21857.435 0.0 0.0 13114.461 13114.461 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131144.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65572.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65572.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131144.61 0.0 0.0 43714.87 18734.94428571428 0.0 0.0 0.0 0.0 131144.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
699 1106.412828802885 5.478859 299705.75 0.0 0.0 0.0 0.0 1498528.75 0.0 1498528.75 0.0 0.0 0.0 0.0 1498528.75 0.0 599411.5 499509.5833333333 0.0 0.0 299705.75 299705.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2997057.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1498528.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1498528.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2997057.5 0.0 0.0 999019.1666666666 428151.0714285714 0.0 0.0 0.0 0.0 2997057.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209
700 1217.4818281201724 5.4806905 52519.92 0.0 0.0 65390.45 0.0 197209.15 0.0 197209.15 0.0 0.0 65390.45 0.0 197209.15 26156.18 78883.66 65736.38333333333 0.0 65390.45 52519.92 52519.92 0.0 0.0 130780.9 0.0 0.0 0.0 0.0 0.0 0.0 394418.3 0.0 0.0 130780.9 0.0 0.0 0.0 0.0 197209.15 0.0 0.0 130780.9 0.0 0.0 0.0 0.0 197209.15 0.0 0.0 130780.9 0.0 0.0 0.0 0.0 0.0 0.0 394418.3 32695.225 0.0 131472.76666666666 75028.45714285714 0.0 130780.9 0.0 0.0 394418.3 0.0 130780.9 0.0 0.0 130780.9 0.0 0.0 209 700.0 RUTIN TRIHYDRATE
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702 609.2440162878016 5.489061 4347965.5600000005 0.0 0.0 6965674.6 0.0 14774153.2 0.0 14774153.2 0.0 0.0 6965674.6 0.0 14774153.2 2693617.2800000003 6002313.84 4924717.733333333 0.0 6965674.6 4347965.5600000005 4347965.5600000005 0.0 0.0 11745876.0 0.0 1722210.4 0.0 0.0 2185473.2 0.0 27826096.0 0.0 0.0 11745876.0 0.0 1722210.4 0.0 2185473.2 13913048.0 0.0 0.0 11745876.0 0.0 1722210.4 0.0 2185473.2 13913048.0 0.0 0.0 11745876.0 0.0 1722210.4 0.0 0.0 2185473.2 0.0 27826096.0 3367021.6 0.0 10003856.4 6211379.371428572 574070.1333333333 11745876.0 0.0 2185473.2 27826096.0 0.0 11745876.0 1722210.4 0.0 11745876.0 1722210.4 0.0 170
703 466.1491014056737 5.4939566 111995.69 0.0 0.0 0.0 0.0 559978.45 0.0 559978.45 0.0 0.0 0.0 0.0 559978.45 0.0 223991.38 186659.4833333333 0.0 0.0 111995.69 111995.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1119956.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 559978.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 559978.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1119956.9 0.0 0.0 373318.9666666666 159993.84285714285 0.0 0.0 0.0 0.0 1119956.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
704 498.1756203848195 5.49812 738127.446 0.0 0.0 486719.73 0.0 3203917.5 0.0 3203917.5 0.0 0.0 486719.73 0.0 3203917.5 40072.872 1436182.02 1067972.5 0.0 486719.73 738127.446 738127.446 0.0 0.0 200364.36 0.0 0.0 0.0 0.0 773075.1 0.0 6407835.0 0.0 0.0 200364.36 0.0 0.0 0.0 773075.1 3203917.5 0.0 0.0 200364.36 0.0 0.0 0.0 773075.1 3203917.5 0.0 0.0 200364.36 0.0 0.0 0.0 0.0 773075.1 0.0 6407835.0 50091.09 0.0 2393636.7 1054467.78 0.0 200364.36 0.0 773075.1 6407835.0 0.0 200364.36 0.0 0.0 200364.36 0.0 0.0 174
705 520.157011467791 5.4994416 64972.727 0.0 0.0 76346.445 0.0 248517.19 0.0 248517.19 0.0 0.0 76346.445 0.0 248517.19 0.0 129945.454 82839.06333333334 0.0 76346.445 64972.727 64972.727 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152692.89 0.0 497034.38 0.0 0.0 0.0 0.0 0.0 0.0 152692.89 248517.19 0.0 0.0 0.0 0.0 0.0 0.0 152692.89 248517.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152692.89 0.0 497034.38 0.0 0.0 216575.75666666668 92818.18142857144 0.0 0.0 0.0 152692.89 497034.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
706 515.2016518197494 5.509043 16010.714000000002 0.0 0.0 0.0 0.0 80053.57 0.0 80053.57 0.0 0.0 0.0 0.0 80053.57 0.0 32021.428000000004 26684.52333333333 0.0 0.0 16010.714000000002 16010.714000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160107.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80053.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80053.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160107.14 0.0 0.0 53369.04666666667 22872.448571428573 0.0 0.0 0.0 0.0 160107.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
708 499.1784758837837 5.518446 20354.067000000003 0.0 0.0 101770.335 0.0 0.0 0.0 0.0 0.0 0.0 101770.335 0.0 0.0 0.0 40708.134000000005 0.0 0.0 101770.335 20354.067000000003 20354.067000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203540.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203540.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203540.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 203540.67 0.0 0.0 0.0 0.0 67846.89 29077.238571428574 0.0 0.0 0.0 203540.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
709 634.1478188478358 5.5244646 24254.061 0.0 0.0 0.0 0.0 121270.305 0.0 121270.305 0.0 0.0 0.0 0.0 121270.305 0.0 48508.122 40423.435 0.0 0.0 24254.061 24254.061 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242540.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121270.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121270.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242540.61 0.0 0.0 80846.87 34648.65857142857 0.0 0.0 0.0 0.0 242540.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
710 213.1599637791373 5.529351 34339.711 0.0 80739.17 0.0 90959.385 0.0 90959.385 0.0 0.0 80739.17 0.0 90959.385 0.0 68679.42199999999 0.0 30319.795 80739.17 0.0 34339.711 34339.711 0.0 161478.34 0.0 181918.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80739.17 0.0 181918.77 0.0 0.0 0.0 0.0 0.0 80739.17 0.0 181918.77 0.0 0.0 0.0 0.0 0.0 161478.34 0.0 181918.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114465.70333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 710.0 Spectral Match to Val-Leu from NIST14
711 551.2382293638905 5.5702767 17153.584 0.0 0.0 0.0 0.0 85767.92 0.0 85767.92 0.0 0.0 0.0 0.0 85767.92 0.0 34307.168 28589.306666666667 0.0 0.0 17153.584 17153.584 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171535.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85767.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85767.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171535.84 0.0 0.0 57178.613333333335 24505.12 0.0 0.0 0.0 0.0 171535.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
713 719.3377012329481 5.584799 11140.166 55700.83 0.0 0.0 0.0 0.0 0.0 0.0 55700.83 0.0 0.0 0.0 0.0 22280.332 0.0 18566.943333333333 0.0 0.0 11140.166 11140.166 111401.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111401.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111401.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111401.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27850.415 0.0 0.0 15914.522857142858 37133.886666666665 0.0 0.0 0.0 0.0 55700.83 0.0 0.0 111401.66 0.0 0.0 0.0 38
714 273.01940175998425 5.587186 16805.119 0.0 0.0 0.0 0.0 84025.595 0.0 84025.595 0.0 0.0 0.0 0.0 84025.595 33610.238 0.0 28008.531666666662 0.0 0.0 16805.119 16805.119 0.0 0.0 0.0 0.0 168051.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168051.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168051.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168051.19 0.0 0.0 0.0 0.0 0.0 42012.7975 0.0 0.0 24007.312857142857 56017.06333333333 0.0 0.0 0.0 0.0 0.0 0.0 168051.19 0.0 0.0 168051.19 0.0 5
720 284.13949376344 5.611502 53694.649 0.0 173499.58 0.0 94973.665 0.0 94973.665 0.0 0.0 173499.58 0.0 94973.665 0.0 107389.298 0.0 31657.88833333333 173499.58 0.0 53694.649 53694.649 0.0 346999.16 0.0 189947.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173499.58 0.0 189947.33 0.0 0.0 0.0 0.0 0.0 173499.58 0.0 189947.33 0.0 0.0 0.0 0.0 0.0 346999.16 0.0 189947.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178982.16333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222 720.0 cyclo(D-Trp-L-Pro)
721 352.1656333005928 5.61501 25306.762 0.0 126533.81 0.0 0.0 0.0 0.0 0.0 0.0 126533.81 0.0 0.0 0.0 0.0 50613.524 0.0 126533.81 0.0 25306.762 25306.762 0.0 0.0 0.0 0.0 0.0 0.0 253067.62 0.0 0.0 0.0 0.0 126533.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126533.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 253067.62 0.0 0.0 0.0 0.0 0.0 84355.87333333334 36152.51714285714 0.0 0.0 253067.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102 721.0 Spectral Match to Trp-Phe from NIST14
723 627.2449460295734 5.649004 17364.45 0.0 0.0 0.0 0.0 86822.25 0.0 86822.25 0.0 0.0 0.0 0.0 86822.25 0.0 34728.9 28940.75 0.0 0.0 17364.45 17364.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173644.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86822.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86822.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173644.5 0.0 0.0 57881.5 24806.35714285714 0.0 0.0 0.0 0.0 173644.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 253
724 625.2394708820419 5.652628 282759.973 0.0 0.0 72689.265 0.0 1341110.6 0.0 1341110.6 0.0 0.0 72689.265 0.0 1341110.6 29075.706 536444.24 447036.8666666667 0.0 72689.265 282759.973 282759.973 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 0.0 0.0 2682221.2 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 1341110.6 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 1341110.6 0.0 0.0 145378.53 0.0 0.0 0.0 0.0 0.0 0.0 2682221.2 36344.6325 0.0 894073.7333333334 403942.8185714286 0.0 145378.53 0.0 0.0 2682221.2 0.0 145378.53 0.0 0.0 145378.53 0.0 0.0 253
726 515.154110509918 5.6800036 39060.403000000006 0.0 0.0 0.0 0.0 195302.015 0.0 195302.015 0.0 0.0 0.0 0.0 195302.015 0.0 78120.80600000001 65100.67166666667 0.0 0.0 39060.403000000006 39060.403000000006 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390604.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195302.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195302.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390604.03 0.0 0.0 130201.34333333334 55800.57571428572 0.0 0.0 0.0 0.0 390604.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174
727 581.2392973884611 5.695859 29805.384 0.0 0.0 0.0 0.0 149026.92 0.0 149026.92 0.0 0.0 0.0 0.0 149026.92 0.0 59610.768 49675.64000000001 0.0 0.0 29805.384 29805.384 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 298053.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149026.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149026.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 298053.84 0.0 0.0 99351.28 42579.12 0.0 0.0 0.0 0.0 298053.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 229
730 579.2340798152788 5.7112174 661816.644 0.0 0.0 878293.8 0.0 2430789.42 0.0 2430789.42 0.0 0.0 878293.8 0.0 2430789.42 421370.388 902262.9 810263.14 0.0 878293.8 661816.644 661816.644 0.0 0.0 1756587.6 0.0 350264.34 0.0 0.0 0.0 0.0 4511314.5 0.0 0.0 1756587.6 0.0 350264.34 0.0 0.0 2255657.25 0.0 0.0 1756587.6 0.0 350264.34 0.0 0.0 2255657.25 0.0 0.0 1756587.6 0.0 350264.34 0.0 0.0 0.0 0.0 4511314.5 526712.985 0.0 1503771.5 945452.3485714284 116754.78 1756587.6 0.0 0.0 4511314.5 0.0 1756587.6 350264.34 0.0 1756587.6 350264.34 0.0 229
731 425.2395765961468 5.716851 14119.86 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 28239.72 0.0 0.0 70599.3 0.0 14119.86 14119.86 0.0 141198.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70599.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141198.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47066.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
732 583.2281301408017 5.7268786 53196.64 0.0 0.0 0.0 0.0 265983.2 0.0 265983.2 0.0 0.0 0.0 0.0 265983.2 0.0 106393.28 88661.06666666667 0.0 0.0 53196.64 53196.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 531966.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 265983.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 265983.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 531966.4 0.0 0.0 177322.13333333333 75995.2 0.0 0.0 0.0 0.0 531966.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
733 356.21842866768503 5.737144 14909.189000000002 0.0 0.0 0.0 74545.945 0.0 74545.945 0.0 0.0 0.0 0.0 74545.945 0.0 29818.378000000004 0.0 24848.64833333333 0.0 0.0 14909.189000000002 14909.189000000002 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149091.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49697.29666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88
734 316.22308624971987 5.761333 13117.079999999998 0.0 0.0 0.0 65585.4 0.0 65585.4 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 26234.16 21861.8 0.0 0.0 13117.079999999998 13117.079999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131170.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65585.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131170.8 0.0 0.0 43723.6 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 0.0 129
737 623.2599301837473 5.7747436 44620.5 0.0 0.0 0.0 0.0 223102.5 0.0 223102.5 0.0 0.0 0.0 0.0 223102.5 0.0 89241.0 74367.5 0.0 0.0 44620.5 44620.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 446205.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223102.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223102.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 446205.0 0.0 0.0 148735.0 63743.57142857143 0.0 0.0 0.0 0.0 446205.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316
738 624.2631923605787 5.7747436 11571.855 0.0 0.0 0.0 0.0 57859.275 0.0 57859.275 0.0 0.0 0.0 0.0 57859.275 0.0 23143.71 19286.425 0.0 0.0 11571.855 11571.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57859.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57859.275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 38572.85 16531.22142857143 0.0 0.0 0.0 0.0 115718.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316
739 344.2543733077923 5.779862 8950.189 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 17900.378 0.0 44750.945 0.0 8950.189 8950.189 0.0 0.0 0.0 0.0 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44750.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 0.0 29833.963333333333 12785.984285714285 0.0 0.0 89501.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
740 230.13873413979533 5.783437 13754.9 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 27509.8 0.0 0.0 68774.5 0.0 13754.9 13754.9 0.0 137549.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68774.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 137549.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45849.66666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 740.0 2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:102040
741 433.20846692840246 5.81939 15344.183 0.0 0.0 0.0 76720.915 0.0 76720.915 0.0 0.0 0.0 0.0 76720.915 0.0 30688.366 0.0 25573.63833333333 0.0 0.0 15344.183 15344.183 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153441.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51147.276666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
747 243.0878451132133 5.852248 14765.845 0.0 0.0 0.0 73829.225 0.0 73829.225 0.0 0.0 0.0 0.0 73829.225 0.0 29531.69 0.0 24609.74166666667 0.0 0.0 14765.845 14765.845 0.0 0.0 0.0 147658.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147658.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147658.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147658.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49219.48333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230 747.0 LUMICHROME - 70.0 eV
748 267.0267749987543 5.8646474 55347.16 0.0 0.0 276735.8 0.0 0.0 0.0 0.0 0.0 0.0 276735.8 0.0 0.0 110694.32 0.0 0.0 0.0 276735.8 55347.16 55347.16 0.0 0.0 553471.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 553471.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 553471.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 553471.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138367.9 0.0 0.0 79067.37142857142 0.0 553471.6 0.0 0.0 0.0 0.0 553471.6 0.0 0.0 553471.6 0.0 0.0 30
749 262.10736850758 5.8818994 14553.153 0.0 72765.765 0.0 0.0 0.0 0.0 0.0 0.0 72765.765 0.0 0.0 0.0 29106.306 0.0 0.0 72765.765 0.0 14553.153 14553.153 0.0 145531.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72765.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72765.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145531.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48510.51 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 -1
750 169.08602686186074 5.89654 206608.528 0.0 0.0 986026.475 0.0 47016.165 0.0 47016.165 0.0 0.0 986026.475 0.0 47016.165 350705.106 62511.95 15672.055 0.0 986026.475 206608.528 206608.528 0.0 0.0 1659493.2 0.0 94032.33 0.0 0.0 312559.75 0.0 0.0 0.0 0.0 1659493.2 0.0 94032.33 0.0 312559.75 0.0 0.0 0.0 1659493.2 0.0 94032.33 0.0 312559.75 0.0 0.0 0.0 1659493.2 0.0 94032.33 0.0 0.0 312559.75 0.0 0.0 438381.3825 0.0 104186.58333333331 295155.04 31344.11 1659493.2 0.0 312559.75 0.0 0.0 1659493.2 94032.33 0.0 1659493.2 94032.33 0.0 2 750.0 Germicidin D
751 176.07058770040416 5.8979297 14895.69 0.0 74478.45 0.0 0.0 0.0 0.0 0.0 0.0 74478.45 0.0 0.0 0.0 29791.38 0.0 0.0 74478.45 0.0 14895.69 14895.69 0.0 148956.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74478.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74478.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148956.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49652.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
752 194.08118607785465 5.8979297 78840.24 0.0 394201.2 0.0 0.0 0.0 0.0 0.0 0.0 394201.2 0.0 0.0 0.0 157680.48 0.0 0.0 394201.2 0.0 78840.24 78840.24 0.0 788402.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 394201.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 394201.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 788402.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 262800.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
753 468.1653795794906 5.917895 11657.916 0.0 0.0 0.0 0.0 58289.58 0.0 58289.58 0.0 0.0 0.0 0.0 58289.58 0.0 23315.832 19429.86 0.0 0.0 11657.916 11657.916 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116579.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 58289.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 58289.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116579.16 0.0 0.0 38859.72 16654.165714285715 0.0 0.0 0.0 0.0 116579.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
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758 1107.5586639199605 6.0103054 33177.82 0.0 165889.1 0.0 0.0 0.0 0.0 0.0 0.0 165889.1 0.0 0.0 0.0 0.0 66355.64 0.0 165889.1 0.0 33177.82 33177.82 0.0 0.0 0.0 0.0 0.0 0.0 331778.2 0.0 0.0 0.0 0.0 165889.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165889.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 331778.2 0.0 0.0 0.0 0.0 0.0 110592.73333333334 47396.88571428572 0.0 0.0 331778.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 758.0 NCGC00180022-02!6-[[(3S,4S,6aR,8aR,9S,10R,12aS,14bR)-9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
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767 647.3759251636585 6.220155 28584.86 142924.3 0.0 0.0 0.0 0.0 0.0 0.0 142924.3 0.0 0.0 0.0 0.0 57169.72 0.0 47641.43333333333 0.0 0.0 28584.86 28584.86 285848.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 285848.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 285848.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 285848.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71462.15 0.0 0.0 40835.514285714286 95282.86666666664 0.0 0.0 0.0 0.0 142924.3 0.0 0.0 285848.6 0.0 0.0 0.0 203
768 669.3578413685627 6.220155 49434.078 247170.39 0.0 0.0 0.0 0.0 0.0 0.0 247170.39 0.0 0.0 0.0 0.0 98868.156 0.0 82390.13 0.0 0.0 49434.078 49434.078 494340.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 494340.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 494340.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 494340.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123585.195 0.0 0.0 70620.11142857143 164780.26 0.0 0.0 0.0 0.0 247170.39 0.0 0.0 494340.78 0.0 0.0 0.0 38
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776 264.12787875504137 6.4360557 191674.728 0.0 0.0 538545.85 0.0 419827.79 0.0 419827.79 0.0 0.0 538545.85 0.0 419827.79 283709.69 99639.766 139942.59666666665 0.0 538545.85 191674.728 191674.728 0.0 0.0 780611.7 0.0 637936.75 0.0 0.0 296480.0 0.0 201718.83 0.0 0.0 780611.7 0.0 637936.75 0.0 296480.0 100859.415 0.0 0.0 780611.7 0.0 637936.75 0.0 296480.0 100859.415 0.0 0.0 780611.7 0.0 637936.75 0.0 0.0 296480.0 0.0 201718.83 354637.1125 0.0 166066.27666666664 273821.04 212645.5833333333 780611.7 0.0 296480.0 201718.83 0.0 780611.7 637936.75 0.0 780611.7 637936.75 0.0 224
777 261.15981104482165 6.4616 18213.13 0.0 0.0 0.0 91065.65 0.0 91065.65 0.0 0.0 0.0 0.0 91065.65 0.0 36426.26 0.0 30355.216666666664 0.0 0.0 18213.13 18213.13 0.0 0.0 0.0 182131.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182131.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182131.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182131.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60710.43333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40 777.0 ReSpect:PM014407 Cyclo(Phe-Leu)
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780 255.0650925026557 6.619293 2744628.2800000003 380434.4 6282391.25 1268163.5 3148867.75 2643284.5 3148867.75 2643284.5 380434.4 6282391.25 1268163.5 3148867.75 2643284.5 526983.96 4962272.6 2057528.8833333333 6282391.25 1268163.5 2744628.2800000003 2744628.2800000003 760868.8 1155440.5 0.0 718610.5 0.0 0.0 11409342.0 2536327.0 5579125.0 5286569.0 760868.8 6282391.25 0.0 718610.5 0.0 0.0 2536327.0 5432847.0 760868.8 6282391.25 0.0 718610.5 0.0 0.0 2536327.0 5432847.0 760868.8 1155440.5 0.0 718610.5 0.0 0.0 11409342.0 2536327.0 5579125.0 5286569.0 190217.2 2484392.0 6410746.0 2856158.1142857145 253622.93333333332 0.0 11409342.0 2536327.0 5286569.0 380434.4 0.0 0.0 760868.8 0.0 0.0 0.0 34 780.0 Daidzein - 40.0 eV
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785 307.0576176880439 6.754806 39411.5 0.0 120543.305 0.0 76514.195 0.0 76514.195 0.0 0.0 120543.305 0.0 76514.195 0.0 0.0 78823.0 25504.73166666667 120543.305 0.0 39411.5 39411.5 0.0 0.0 0.0 0.0 0.0 0.0 241086.61 0.0 153028.39 0.0 0.0 120543.305 0.0 0.0 0.0 0.0 0.0 76514.195 0.0 120543.305 0.0 0.0 0.0 0.0 0.0 76514.195 0.0 0.0 0.0 0.0 0.0 0.0 241086.61 0.0 153028.39 0.0 0.0 51009.46333333334 80362.20333333332 34440.944285714286 0.0 0.0 241086.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
786 285.0756903027914 6.7712197 290547.5 0.0 814479.8 0.0 638257.7 0.0 638257.7 0.0 0.0 814479.8 0.0 638257.7 0.0 0.0 581095.0 212752.56666666665 814479.8 0.0 290547.5 290547.5 0.0 0.0 0.0 0.0 0.0 0.0 1628959.6 0.0 1276515.4 0.0 0.0 814479.8 0.0 0.0 0.0 0.0 0.0 638257.7 0.0 814479.8 0.0 0.0 0.0 0.0 0.0 638257.7 0.0 0.0 0.0 0.0 0.0 0.0 1628959.6 0.0 1276515.4 0.0 0.0 425505.1333333333 542986.5333333333 232708.5142857143 0.0 0.0 1628959.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 786.0 Glycitein
787 296.1256253913963 6.802165 22726.734 0.0 113633.67 0.0 0.0 0.0 0.0 0.0 0.0 113633.67 0.0 0.0 0.0 0.0 45453.468 0.0 113633.67 0.0 22726.734 22726.734 0.0 0.0 0.0 0.0 0.0 0.0 227267.34 0.0 0.0 0.0 0.0 113633.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113633.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 227267.34 0.0 0.0 0.0 0.0 0.0 75755.78 32466.762857142858 0.0 0.0 227267.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
788 435.07114257438496 7.012763 36763.562 0.0 0.0 0.0 0.0 183817.81 0.0 183817.81 0.0 0.0 0.0 0.0 183817.81 0.0 73527.124 61272.60333333333 0.0 0.0 36763.562 36763.562 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 367635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183817.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183817.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 367635.62 0.0 0.0 122545.20666666668 52519.374285714286 0.0 0.0 0.0 0.0 367635.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 788.0 LY3200882
789 414.3365847092341 7.053999 10844.355 54221.775 0.0 0.0 0.0 0.0 0.0 0.0 54221.775 0.0 0.0 0.0 0.0 21688.71 0.0 18073.925 0.0 0.0 10844.355 10844.355 108443.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108443.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108443.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108443.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27110.8875 0.0 0.0 15491.935714285715 36147.85 0.0 0.0 0.0 0.0 54221.775 0.0 0.0 108443.55 0.0 0.0 0.0 161
790 637.2182595072106 7.061381 13424.361 0.0 0.0 0.0 0.0 67121.805 0.0 67121.805 0.0 0.0 0.0 0.0 67121.805 0.0 26848.722 22373.935 0.0 0.0 13424.361 13424.361 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134243.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67121.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67121.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134243.61 0.0 0.0 44747.87 19177.65857142857 0.0 0.0 0.0 0.0 134243.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
791 265.10693944291705 7.105933 60165.19 0.0 300825.95 0.0 0.0 0.0 0.0 0.0 0.0 300825.95 0.0 0.0 0.0 120330.38 0.0 0.0 300825.95 0.0 60165.19 60165.19 0.0 601651.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300825.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300825.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 601651.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200550.63333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
792 957.5051233673476 7.2208967 19109.295 0.0 95546.475 0.0 0.0 0.0 0.0 0.0 0.0 95546.475 0.0 0.0 0.0 0.0 38218.59 0.0 95546.475 0.0 19109.295 19109.295 0.0 0.0 0.0 0.0 0.0 0.0 191092.95 0.0 0.0 0.0 0.0 95546.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95546.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191092.95 0.0 0.0 0.0 0.0 0.0 63697.65 27298.992857142857 0.0 0.0 191092.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62
793 725.370588423093 7.3120403 8149.182000000001 0.0 0.0 40745.91 0.0 0.0 0.0 0.0 0.0 0.0 40745.91 0.0 0.0 0.0 16298.364 0.0 0.0 40745.91 8149.182000000001 8149.182000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81491.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81491.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81491.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81491.82 0.0 0.0 0.0 0.0 27163.94 11641.688571428573 0.0 0.0 0.0 81491.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
794 212.1280830954982 7.3382215 17083.503 0.0 85417.515 0.0 0.0 0.0 0.0 0.0 0.0 85417.515 0.0 0.0 0.0 34167.006 0.0 0.0 85417.515 0.0 17083.503 17083.503 0.0 170835.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85417.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85417.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170835.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56945.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59
795 485.3695338120013 7.4414806 10202.918 51014.59 0.0 0.0 0.0 0.0 0.0 0.0 51014.59 0.0 0.0 0.0 0.0 0.0 20405.836 17004.86333333333 0.0 0.0 10202.918 10202.918 0.0 0.0 0.0 0.0 0.0 102029.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102029.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102029.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102029.18 0.0 0.0 0.0 0.0 25507.295 0.0 0.0 14575.59714285714 34009.72666666666 0.0 0.0 0.0 0.0 51014.59 0.0 0.0 0.0 0.0 0.0 102029.18 11
796 289.026139370156 7.4970307 226657.15 0.0 0.0 0.0 1133285.75 0.0 1133285.75 0.0 0.0 0.0 0.0 1133285.75 0.0 0.0 453314.3 377761.9166666667 0.0 0.0 226657.15 226657.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2266571.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1133285.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1133285.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2266571.5 0.0 0.0 755523.8333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 796.0 3-(3-chlorophenyl)-6-hydroxy-4-methylchromen-2-one CollisionEnergy:205060
797 291.0231350202292 7.4970307 70345.31 0.0 0.0 0.0 351726.55 0.0 351726.55 0.0 0.0 0.0 0.0 351726.55 0.0 0.0 140690.62 117242.18333333332 0.0 0.0 70345.31 70345.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 703453.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351726.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351726.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 703453.1 0.0 0.0 234484.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34
798 271.06001476168706 7.544863 1193480.21 0.0 4621362.83 225261.47 164906.65 955870.1 164906.65 955870.1 0.0 4621362.83 225261.47 164906.65 955870.1 76705.932 2310254.488 373592.25 4621362.83 225261.47 1193480.21 1193480.21 0.0 383529.66 0.0 0.0 0.0 0.0 8859196.0 450522.94 329813.3 1911740.2 0.0 4621362.83 0.0 0.0 0.0 0.0 450522.94 1120776.75 0.0 4621362.83 0.0 0.0 0.0 0.0 450522.94 1120776.75 0.0 383529.66 0.0 0.0 0.0 0.0 8859196.0 450522.94 329813.3 1911740.2 0.0 237780.98666666663 3740486.38 1603065.5914285716 0.0 0.0 8859196.0 450522.94 1911740.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 798.0 Massbank:EQ326505 Genistein|5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
799 196.0336314973584 7.55079 11221.5336 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 22443.0672 0.0 56107.668 0.0 11221.5336 11221.5336 0.0 0.0 0.0 0.0 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56107.668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 0.0 37405.112 16030.762285714283 0.0 0.0 112215.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14
800 272.0633791354291 7.55079 141498.18 0.0 707490.9 0.0 0.0 0.0 0.0 0.0 0.0 707490.9 0.0 0.0 0.0 0.0 282996.36 0.0 707490.9 0.0 141498.18 141498.18 0.0 0.0 0.0 0.0 0.0 0.0 1414981.8 0.0 0.0 0.0 0.0 707490.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 707490.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1414981.8 0.0 0.0 0.0 0.0 0.0 471660.6 202140.25714285715 0.0 0.0 1414981.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 800.0 Genistein
801 366.0056697452209 7.55079 10796.353 0.0 53981.765 0.0 0.0 0.0 0.0 0.0 0.0 53981.765 0.0 0.0 0.0 0.0 21592.706 0.0 53981.765 0.0 10796.353 10796.353 0.0 0.0 0.0 0.0 0.0 0.0 107963.53 0.0 0.0 0.0 0.0 53981.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53981.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107963.53 0.0 0.0 0.0 0.0 0.0 35987.84333333333 15423.361428571428 0.0 0.0 107963.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182
802 299.0912700352241 7.5641036 173051.78999999998 0.0 0.0 0.0 0.0 865258.95 0.0 865258.95 0.0 0.0 0.0 0.0 865258.95 0.0 346103.58 288419.65 0.0 0.0 173051.78999999998 173051.78999999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1730517.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865258.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865258.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1730517.9 0.0 0.0 576839.2999999999 247216.84285714285 0.0 0.0 0.0 0.0 1730517.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34
803 321.07319302202075 7.607593 60282.595 0.0 0.0 177857.0 0.0 123555.975 0.0 123555.975 0.0 0.0 177857.0 0.0 123555.975 0.0 120565.19 41185.325 0.0 177857.0 60282.595 60282.595 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 0.0 247111.95 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 123555.975 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 123555.975 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355714.0 0.0 247111.95 0.0 0.0 200941.9833333333 86117.99285714285 0.0 0.0 0.0 355714.0 247111.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
804 301.0705682642628 7.631828 22178.784 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 44357.568 0.0 110893.92 0.0 22178.784 22178.784 0.0 0.0 0.0 0.0 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110893.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 0.0 73929.28 31683.977142857144 0.0 0.0 221787.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 804.0 Tectorigenin
805 319.0368945098625 7.6433043 14138.895 0.0 0.0 0.0 70694.475 0.0 70694.475 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 28277.79 23564.825 0.0 0.0 14138.895 14138.895 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141388.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70694.475 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141388.95 0.0 0.0 47129.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34
806 975.5153287474716 7.647876 13402.606 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 26805.212 0.0 67013.03 0.0 13402.606 13402.606 0.0 0.0 0.0 0.0 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67013.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 0.0 44675.35333333333 19146.58 0.0 0.0 134026.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62
807 619.1568775393844 7.6666884 17572.819 0.0 0.0 87864.095 0.0 0.0 0.0 0.0 0.0 0.0 87864.095 0.0 0.0 0.0 35145.638 0.0 0.0 87864.095 17572.819 17572.819 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 58576.06333333333 25104.027142857143 0.0 0.0 0.0 175728.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
808 236.16217920022785 7.673634 13557.597 0.0 0.0 0.0 0.0 67787.985 0.0 67787.985 0.0 0.0 0.0 0.0 67787.985 27115.194 0.0 22595.995 0.0 0.0 13557.597 13557.597 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 0.0 0.0 0.0 33893.9925 0.0 0.0 19367.995714285717 45191.99 0.0 0.0 0.0 0.0 0.0 0.0 135575.97 0.0 0.0 135575.97 0.0 30
809 250.11244689816976 7.6957273 10461.482 0.0 0.0 52307.41 0.0 0.0 0.0 0.0 0.0 0.0 52307.41 0.0 0.0 20922.964 0.0 0.0 0.0 52307.41 10461.482 10461.482 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26153.705 0.0 0.0 14944.974285714286 0.0 104614.82 0.0 0.0 0.0 0.0 104614.82 0.0 0.0 104614.82 0.0 0.0 224
810 299.0912808966144 7.7568398 132803.912 0.0 139793.03 524226.53 0.0 0.0 0.0 0.0 0.0 139793.03 524226.53 0.0 0.0 0.0 265607.824 0.0 139793.03 524226.53 132803.912 132803.912 0.0 0.0 0.0 0.0 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 139793.03 0.0 0.0 0.0 0.0 1048453.06 0.0 0.0 139793.03 0.0 0.0 0.0 0.0 1048453.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 0.0 442679.7066666667 189719.8742857143 0.0 0.0 279586.06 1048453.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34
811 456.2960634182163 7.7587895 18212.153 0.0 0.0 91060.765 0.0 0.0 0.0 0.0 0.0 0.0 91060.765 0.0 0.0 36424.306 0.0 0.0 0.0 91060.765 18212.153 18212.153 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45530.3825 0.0 0.0 26017.36142857143 0.0 182121.53 0.0 0.0 0.0 0.0 182121.53 0.0 0.0 182121.53 0.0 0.0 -1
812 461.2514736497407 7.7587895 97309.05 0.0 0.0 486545.25 0.0 0.0 0.0 0.0 0.0 0.0 486545.25 0.0 0.0 194618.1 0.0 0.0 0.0 486545.25 97309.05 97309.05 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243272.625 0.0 0.0 139012.92857142858 0.0 973090.5 0.0 0.0 0.0 0.0 973090.5 0.0 0.0 973090.5 0.0 0.0 30
813 290.0480682662112 7.8028545 30679.47 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 61358.94 0.0 0.0 153397.35 0.0 30679.47 30679.47 0.0 306794.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153397.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306794.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102264.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115
814 381.1309267739109 7.8827686 26018.266 0.0 0.0 0.0 0.0 130091.33 0.0 130091.33 0.0 0.0 0.0 0.0 130091.33 52036.532 0.0 43363.776666666665 0.0 0.0 26018.266 26018.266 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 0.0 0.0 0.0 65045.665 0.0 0.0 37168.95142857143 86727.55333333333 0.0 0.0 0.0 0.0 0.0 0.0 260182.66 0.0 0.0 260182.66 0.0 30
815 397.10481064597 7.8827686 19269.611 0.0 0.0 0.0 0.0 96348.055 0.0 96348.055 0.0 0.0 0.0 0.0 96348.055 38539.222 0.0 32116.01833333333 0.0 0.0 19269.611 19269.611 0.0 0.0 0.0 0.0 192696.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192696.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192696.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192696.11 0.0 0.0 0.0 0.0 0.0 48174.0275 0.0 0.0 27528.015714285717 64232.03666666666 0.0 0.0 0.0 0.0 0.0 0.0 192696.11 0.0 0.0 192696.11 0.0 30
816 512.3001842098995 7.904659 68102.67 340513.35 0.0 0.0 0.0 0.0 0.0 0.0 340513.35 0.0 0.0 0.0 0.0 0.0 136205.34 113504.45 0.0 0.0 68102.67 68102.67 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 681026.7 0.0 0.0 0.0 0.0 170256.675 0.0 0.0 97289.52857142856 227008.9 0.0 0.0 0.0 0.0 340513.35 0.0 0.0 0.0 0.0 0.0 681026.7 89
817 534.282085108782 7.904659 16047.334 80236.67 0.0 0.0 0.0 0.0 0.0 0.0 80236.67 0.0 0.0 0.0 0.0 0.0 32094.668 26745.556666666667 0.0 0.0 16047.334 16047.334 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160473.34 0.0 0.0 0.0 0.0 40118.335 0.0 0.0 22924.762857142858 53491.113333333335 0.0 0.0 0.0 0.0 80236.67 0.0 0.0 0.0 0.0 0.0 160473.34 30
818 241.1047837099873 7.981749 48940.8486 90067.385 0.0 94654.725 59982.133 0.0 59982.133 0.0 90067.385 0.0 94654.725 59982.133 0.0 73888.844 23992.8532 50016.506 0.0 94654.725 48940.8486 48940.8486 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 0.0 119964.266 0.0 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 59982.133 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 59982.133 180134.77 0.0 189309.45 0.0 0.0 0.0 0.0 0.0 119964.266 0.0 92361.055 39988.08866666667 0.0 52777.74571428571 60044.92333333333 189309.45 0.0 0.0 0.0 90067.385 189309.45 0.0 180134.77 189309.45 0.0 0.0 30
819 398.341939126504 8.029599 217956.3 0.0 0.0 607415.1 0.0 482366.4 0.0 482366.4 0.0 0.0 607415.1 0.0 482366.4 435912.6 0.0 160788.80000000002 0.0 607415.1 217956.3 217956.3 0.0 0.0 1214830.2 0.0 964732.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1214830.2 0.0 964732.8 0.0 0.0 0.0 0.0 0.0 1214830.2 0.0 964732.8 0.0 0.0 0.0 0.0 0.0 1214830.2 0.0 964732.8 0.0 0.0 0.0 0.0 0.0 544890.75 0.0 0.0 311366.14285714284 321577.60000000003 1214830.2 0.0 0.0 0.0 0.0 1214830.2 964732.8 0.0 1214830.2 964732.8 0.0 161
820 362.2688158088124 8.096008 51808.534 0.0 259042.67 0.0 0.0 0.0 0.0 0.0 0.0 259042.67 0.0 0.0 0.0 0.0 103617.068 0.0 259042.67 0.0 51808.534 51808.534 0.0 0.0 0.0 0.0 0.0 0.0 518085.34 0.0 0.0 0.0 0.0 259042.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259042.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 518085.34 0.0 0.0 0.0 0.0 0.0 172695.11333333334 74012.19142857143 0.0 0.0 518085.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 233
821 941.5098157801548 8.177737 10011.015 0.0 50055.075 0.0 0.0 0.0 0.0 0.0 0.0 50055.075 0.0 0.0 0.0 0.0 20022.03 0.0 50055.075 0.0 10011.015 10011.015 0.0 0.0 0.0 0.0 0.0 0.0 100110.15 0.0 0.0 0.0 0.0 50055.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50055.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100110.15 0.0 0.0 0.0 0.0 0.0 33370.05 14301.45 0.0 0.0 100110.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 821.0 NCGC00385557-01_C48H76O18_
822 269.08065809169346 8.196158 446100.316 0.0 332926.28 645003.8 0.0 1252571.5 0.0 1252571.5 0.0 332926.28 645003.8 0.0 1252571.5 0.0 892200.632 417523.8333333333 332926.28 645003.8 446100.316 446100.316 0.0 0.0 0.0 0.0 0.0 0.0 665852.56 1290007.6 0.0 2505143.0 0.0 332926.28 0.0 0.0 0.0 0.0 1290007.6 1252571.5 0.0 332926.28 0.0 0.0 0.0 0.0 1290007.6 1252571.5 0.0 0.0 0.0 0.0 0.0 0.0 665852.56 1290007.6 0.0 2505143.0 0.0 0.0 1487001.0533333337 637286.1657142857 0.0 0.0 665852.56 1290007.6 2505143.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 822.0 Massbank:LU030105 Formononetin|7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
823 291.06259062908566 8.196158 101289.583 0.0 110521.805 179641.375 0.0 216284.735 0.0 216284.735 0.0 110521.805 179641.375 0.0 216284.735 0.0 202579.166 72094.91166666667 110521.805 179641.375 101289.583 101289.583 0.0 0.0 0.0 0.0 0.0 0.0 221043.61 359282.75 0.0 432569.47 0.0 110521.805 0.0 0.0 0.0 0.0 359282.75 216284.735 0.0 110521.805 0.0 0.0 0.0 0.0 359282.75 216284.735 0.0 0.0 0.0 0.0 0.0 0.0 221043.61 359282.75 0.0 432569.47 0.0 0.0 337631.9433333333 144699.4042857143 0.0 0.0 221043.61 359282.75 432569.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
824 959.5199170108892 8.211464 63961.39 0.0 319806.95 0.0 0.0 0.0 0.0 0.0 0.0 319806.95 0.0 0.0 0.0 0.0 127922.78 0.0 319806.95 0.0 63961.39 63961.39 0.0 0.0 0.0 0.0 0.0 0.0 639613.9 0.0 0.0 0.0 0.0 319806.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 319806.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 639613.9 0.0 0.0 0.0 0.0 0.0 213204.63333333333 91373.41428571429 0.0 0.0 639613.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 824.0 Massbank:PR304289 Soyasaponin Ba
825 456.2961244827789 8.25674 19146.09 0.0 0.0 95730.45 0.0 0.0 0.0 0.0 0.0 0.0 95730.45 0.0 0.0 38292.18 0.0 0.0 0.0 95730.45 19146.09 19146.09 0.0 0.0 191460.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191460.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191460.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191460.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47865.225 0.0 0.0 27351.557142857146 0.0 191460.9 0.0 0.0 0.0 0.0 191460.9 0.0 0.0 191460.9 0.0 0.0 -1
826 508.273196340058 8.25674 51574.69 0.0 0.0 257873.45 0.0 0.0 0.0 0.0 0.0 0.0 257873.45 0.0 0.0 103149.38 0.0 0.0 0.0 257873.45 51574.69 51574.69 0.0 0.0 515746.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 515746.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 515746.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 515746.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128936.725 0.0 0.0 73678.12857142858 0.0 515746.9 0.0 0.0 0.0 0.0 515746.9 0.0 0.0 515746.9 0.0 0.0 149 826.0 NCGC00385405-01_C26H30O9_
827 305.02106049542647 8.290547 12945.411 0.0 0.0 0.0 64727.055 0.0 64727.055 0.0 0.0 0.0 0.0 64727.055 0.0 25890.822 0.0 21575.685 0.0 0.0 12945.411 12945.411 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129454.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43151.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34
828 461.2509983667591 8.291775 191218.0334 0.0 0.0 956090.167 0.0 0.0 0.0 0.0 0.0 0.0 956090.167 0.0 0.0 363350.92 19085.1468 0.0 0.0 956090.167 191218.0334 191218.0334 0.0 0.0 1816754.6 0.0 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 95425.734 0.0 0.0 0.0 1816754.6 0.0 0.0 0.0 0.0 95425.734 0.0 0.0 454188.65 0.0 31808.578 273168.61914285715 0.0 1816754.6 0.0 95425.734 0.0 0.0 1816754.6 0.0 0.0 1816754.6 0.0 0.0 30
829 635.4147090273183 8.340765 10844.115 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 21688.23 0.0 54220.575 0.0 10844.115 10844.115 0.0 0.0 0.0 0.0 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54220.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 0.0 36147.05 15491.592857142856 0.0 0.0 108441.15 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62
830 781.4731483372441 8.340765 17227.642 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 34455.284 0.0 86138.21 0.0 17227.642 17227.642 0.0 0.0 0.0 0.0 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86138.21 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 0.0 57425.473333333335 24610.917142857143 0.0 0.0 172276.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62
831 930.5432148188522 8.340765 29602.6 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 59205.2 0.0 148013.0 0.0 29602.6 29602.6 0.0 0.0 0.0 0.0 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148013.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 0.0 98675.33333333331 42289.42857142857 0.0 0.0 296026.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 831.0 NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
832 519.7388765278088 8.357931 12125.1305 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 24250.261 0.0 60625.6525 0.0 12125.1305 12125.1305 0.0 0.0 0.0 0.0 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60625.6525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 0.0 40417.10166666666 17321.614999999998 0.0 0.0 121251.305 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
833 182.9850727767784 8.358721 6797.578 0.0 0.0 0.0 0.0 33987.89 0.0 33987.89 0.0 0.0 0.0 0.0 33987.89 0.0 13595.156 11329.296666666669 0.0 0.0 6797.578 6797.578 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33987.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33987.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 22658.59333333333 9710.825714285716 0.0 0.0 0.0 0.0 67975.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32 833.0 HARMANE CollisionEnergy:102040
834 511.7527014970733 8.373374 17154.807999999997 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 34309.615999999995 0.0 85774.04 0.0 17154.807999999997 17154.807999999997 0.0 0.0 0.0 0.0 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85774.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 0.0 57182.69333333333 24506.86857142857 0.0 0.0 171548.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
835 943.5248319608 8.373374 834411.35 0.0 4172056.75 0.0 0.0 0.0 0.0 0.0 0.0 4172056.75 0.0 0.0 0.0 0.0 1668822.7 0.0 4172056.75 0.0 834411.35 834411.35 0.0 0.0 0.0 0.0 0.0 0.0 8344113.5 0.0 0.0 0.0 0.0 4172056.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4172056.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8344113.5 0.0 0.0 0.0 0.0 0.0 2781371.1666666665 1192016.2142857143 0.0 0.0 8344113.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 835.0 (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
837 965.507264579332 8.413536 62459.823 0.0 232824.14 0.0 0.0 79474.975 0.0 79474.975 0.0 232824.14 0.0 0.0 79474.975 0.0 124919.646 26491.658333333336 232824.14 0.0 62459.823 62459.823 0.0 0.0 0.0 0.0 0.0 0.0 465648.28 0.0 0.0 158949.95 0.0 232824.14 0.0 0.0 0.0 0.0 0.0 79474.975 0.0 232824.14 0.0 0.0 0.0 0.0 0.0 79474.975 0.0 0.0 0.0 0.0 0.0 0.0 465648.28 0.0 0.0 158949.95 0.0 0.0 208199.41 89228.31857142856 0.0 0.0 465648.28 0.0 158949.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48
838 228.1958348495089 8.427805 39020.338 0.0 0.0 0.0 0.0 195101.69 0.0 195101.69 0.0 0.0 0.0 0.0 195101.69 78040.676 0.0 65033.89666666667 0.0 0.0 39020.338 39020.338 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 0.0 0.0 0.0 97550.845 0.0 0.0 55743.34 130067.79333333332 0.0 0.0 0.0 0.0 0.0 0.0 390203.38 0.0 0.0 390203.38 0.0 83 838.0 Vitamin E acetate
839 223.063668656318 8.437436 173140.02 86822.5 242728.775 98862.74 350785.47000000003 86500.615 350785.47000000003 86500.615 86822.5 242728.775 98862.74 350785.47000000003 86500.615 223855.136 122424.904 174702.86166666666 242728.775 98862.74 173140.02 173140.02 173645.0 235083.86 197725.48 512821.34 0.0 0.0 250373.69 0.0 188749.6 173001.23 173645.0 242728.775 197725.48 512821.34 0.0 0.0 0.0 180875.415 173645.0 242728.775 197725.48 512821.34 0.0 0.0 0.0 180875.415 173645.0 235083.86 197725.48 512821.34 0.0 0.0 250373.69 0.0 188749.6 173001.23 92842.62 312218.26666666666 141124.97333333336 113535.05714285711 57881.66666666666 197725.48 250373.69 0.0 173001.23 86822.5 197725.48 0.0 173645.0 197725.48 0.0 0.0 119
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851 315.0862620479669 8.765246 30228.912 0.0 151144.56 0.0 0.0 0.0 0.0 0.0 0.0 151144.56 0.0 0.0 0.0 0.0 60457.824 0.0 151144.56 0.0 30228.912 30228.912 0.0 0.0 0.0 0.0 0.0 0.0 302289.12 0.0 0.0 0.0 0.0 151144.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151144.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302289.12 0.0 0.0 0.0 0.0 0.0 100763.04 43184.16 0.0 0.0 302289.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34 851.0 Cabreuvin CollisionEnergy:205060
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853 475.2694195050264 8.769444 13415.954999999998 0.0 0.0 67079.775 0.0 0.0 0.0 0.0 0.0 0.0 67079.775 0.0 0.0 26831.91 0.0 0.0 0.0 67079.775 13415.954999999998 13415.954999999998 0.0 0.0 134159.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134159.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134159.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134159.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33539.8875 0.0 0.0 19165.65 0.0 134159.55 0.0 0.0 0.0 0.0 134159.55 0.0 0.0 134159.55 0.0 0.0 313
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855 941.509880663584 8.814852 42610.284 0.0 213051.42 0.0 0.0 0.0 0.0 0.0 0.0 213051.42 0.0 0.0 0.0 0.0 85220.568 0.0 213051.42 0.0 42610.284 42610.284 0.0 0.0 0.0 0.0 0.0 0.0 426102.84 0.0 0.0 0.0 0.0 213051.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213051.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 426102.84 0.0 0.0 0.0 0.0 0.0 142034.28 60871.83428571429 0.0 0.0 426102.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62 855.0 NCGC00385557-01_C48H76O18_
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905 846.4423438240368 9.768714 1640670.598 1188003.65 4041169.4 258184.89 2034735.25 681259.8 2034735.25 681259.8 1188003.65 4041169.4 258184.89 2034735.25 681259.8 1796037.496 1485303.7 1301332.9 4041169.4 258184.89 1640670.598 1640670.598 851482.4 3542864.8 516369.78 4069470.5 0.0 1524524.9 4539474.0 0.0 0.0 1362519.6 851482.4 4041169.4 516369.78 4069470.5 0.0 1524524.9 0.0 681259.8 851482.4 4041169.4 516369.78 4069470.5 0.0 1524524.9 0.0 681259.8 851482.4 3542864.8 516369.78 4069470.5 0.0 1524524.9 4539474.0 0.0 0.0 1362519.6 723094.27 2537445.1 1967331.2 1256338.6685714286 792002.4333333332 516369.78 4539474.0 0.0 1362519.6 1188003.65 516369.78 0.0 851482.4 516369.78 0.0 1524524.9 18
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927 603.8637474930263 9.8160305 479499.9 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 958999.8 0.0 2397499.5 0.0 479499.9 479499.9 0.0 0.0 0.0 0.0 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2397499.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 0.0 1598333.0 684999.8571428572 0.0 0.0 4794999.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43
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933 387.253101739062 9.854669 21124.473 0.0 0.0 105622.365 0.0 0.0 0.0 0.0 0.0 0.0 105622.365 0.0 0.0 42248.946 0.0 0.0 0.0 105622.365 21124.473 21124.473 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52811.1825 0.0 0.0 30177.81857142857 0.0 211244.73 0.0 0.0 0.0 0.0 211244.73 0.0 0.0 211244.73 0.0 0.0 254
934 590.3148889020331 9.854669 18870.681 0.0 0.0 94353.405 0.0 0.0 0.0 0.0 0.0 0.0 94353.405 0.0 0.0 37741.362 0.0 0.0 0.0 94353.405 18870.681 18870.681 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47176.7025 0.0 0.0 26958.11571428572 0.0 188706.81 0.0 0.0 0.0 0.0 188706.81 0.0 0.0 188706.81 0.0 0.0 149
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936 763.4247245861778 9.854669 16883.5 0.0 0.0 84417.5 0.0 0.0 0.0 0.0 0.0 0.0 84417.5 0.0 0.0 33767.0 0.0 0.0 0.0 84417.5 16883.5 16883.5 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42208.75 0.0 0.0 24119.285714285717 0.0 168835.0 0.0 0.0 0.0 0.0 168835.0 0.0 0.0 168835.0 0.0 0.0 -1
937 422.2903342504855 9.869651 35352.794 0.0 0.0 176763.97 0.0 0.0 0.0 0.0 0.0 0.0 176763.97 0.0 0.0 70705.588 0.0 0.0 0.0 176763.97 35352.794 35352.794 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88381.985 0.0 0.0 50503.99142857143 0.0 353527.94 0.0 0.0 0.0 0.0 353527.94 0.0 0.0 353527.94 0.0 0.0 254
938 427.24567796510496 9.869651 163925.84 0.0 0.0 819629.2 0.0 0.0 0.0 0.0 0.0 0.0 819629.2 0.0 0.0 327851.68 0.0 0.0 0.0 819629.2 163925.84 163925.84 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409814.6 0.0 0.0 234179.7714285714 0.0 1639258.4 0.0 0.0 0.0 0.0 1639258.4 0.0 0.0 1639258.4 0.0 0.0 22
939 459.308625131355 9.932218 30652.6 0.0 0.0 153263.0 0.0 0.0 0.0 0.0 0.0 0.0 153263.0 0.0 0.0 61305.2 0.0 0.0 0.0 153263.0 30652.6 30652.6 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76631.5 0.0 0.0 43789.42857142857 0.0 306526.0 0.0 0.0 0.0 0.0 306526.0 0.0 0.0 306526.0 0.0 0.0 35
940 650.4257090615093 9.9409 27370.953 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 54741.906 0.0 136854.765 0.0 27370.953 27370.953 0.0 0.0 0.0 0.0 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136854.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 0.0 91236.51 39101.36142857144 0.0 0.0 273709.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 372
941 615.3885064313 9.955829 18869.033 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 37738.066 0.0 94345.165 0.0 18869.033 18869.033 0.0 0.0 0.0 0.0 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94345.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 0.0 62896.776666666665 26955.761428571423 0.0 0.0 188690.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
942 633.3990977130824 9.955829 36262.825 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 72525.65 0.0 181314.125 0.0 36262.825 36262.825 0.0 0.0 0.0 0.0 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181314.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 0.0 120876.08333333331 51804.03571428572 0.0 0.0 362628.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 372
943 794.4672695657947 9.996951 39795.388 0.0 0.0 198976.94 0.0 0.0 0.0 0.0 0.0 0.0 198976.94 0.0 0.0 79590.776 0.0 0.0 0.0 198976.94 39795.388 39795.388 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99488.47 0.0 0.0 56850.55428571429 0.0 397953.88 0.0 0.0 0.0 0.0 397953.88 0.0 0.0 397953.88 0.0 0.0 148
944 789.5119864898744 10.0128975 16498.662 0.0 0.0 82493.31 0.0 0.0 0.0 0.0 0.0 0.0 82493.31 0.0 0.0 32997.324 0.0 0.0 0.0 82493.31 16498.662 16498.662 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41246.655 0.0 0.0 23569.51714285714 0.0 164986.62 0.0 0.0 0.0 0.0 164986.62 0.0 0.0 164986.62 0.0 0.0 19
945 655.3374989860047 10.032701 40809.953 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 81619.906 0.0 204049.765 0.0 40809.953 40809.953 0.0 0.0 0.0 0.0 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204049.765 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 0.0 136033.17666666667 58299.93285714286 0.0 0.0 408099.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228
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953 1331.6533680995292 10.048265 20414.981 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 40829.962 0.0 102074.905 0.0 20414.981 20414.981 0.0 0.0 0.0 0.0 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102074.905 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 0.0 68049.93666666666 29164.25857142857 0.0 0.0 204149.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
954 1341.6096907949031 10.048265 18351.561 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 36703.122 0.0 91757.805 0.0 18351.561 18351.561 0.0 0.0 0.0 0.0 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91757.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 0.0 61171.87 26216.515714285717 0.0 0.0 183515.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 252
955 403.2481958199659 10.060503 13505.377 0.0 0.0 67526.885 0.0 0.0 0.0 0.0 0.0 0.0 67526.885 0.0 0.0 27010.754 0.0 0.0 0.0 67526.885 13505.377 13505.377 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33763.4425 0.0 0.0 19293.395714285714 0.0 135053.77 0.0 0.0 0.0 0.0 135053.77 0.0 0.0 135053.77 0.0 0.0 254
956 663.3217272814834 10.063488 53622.14 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 107244.28 0.0 268110.7 0.0 53622.14 53622.14 0.0 0.0 0.0 0.0 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268110.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 0.0 178740.46666666667 76603.05714285714 0.0 0.0 536221.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 244
957 1332.655150134819 10.063488 16453.647 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 32907.294 0.0 82268.235 0.0 16453.647 16453.647 0.0 0.0 0.0 0.0 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82268.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 0.0 54845.49 23505.21 0.0 0.0 164536.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
958 527.2980437459948 10.109143 12992.923 0.0 0.0 64964.615 0.0 0.0 0.0 0.0 0.0 0.0 64964.615 0.0 0.0 25985.846 0.0 0.0 0.0 64964.615 12992.923 12992.923 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32482.3075 0.0 0.0 18561.31857142857 0.0 129929.23 0.0 0.0 0.0 0.0 129929.23 0.0 0.0 129929.23 0.0 0.0 -1
959 1285.6745036433988 10.142878 66257.05600000001 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 132514.11200000002 0.0 331285.28 0.0 66257.05600000001 66257.05600000001 0.0 0.0 0.0 0.0 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 331285.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 0.0 220856.85333333336 94652.93714285716 0.0 0.0 662570.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13
960 1286.6776986504044 10.142878 46198.694 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 92397.388 0.0 230993.47 0.0 46198.694 46198.694 0.0 0.0 0.0 0.0 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230993.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 0.0 153995.64666666667 65998.13428571429 0.0 0.0 461986.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13
961 289.17748246908883 10.156666 19009.155 0.0 0.0 95045.775 0.0 0.0 0.0 0.0 0.0 0.0 95045.775 0.0 0.0 38018.31 0.0 0.0 0.0 95045.775 19009.155 19009.155 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47522.8875 0.0 0.0 27155.93571428571 0.0 190091.55 0.0 0.0 0.0 0.0 190091.55 0.0 0.0 190091.55 0.0 0.0 30
962 511.3030978360939 10.17248 10997.6805 0.0 0.0 54988.4025 0.0 0.0 0.0 0.0 0.0 0.0 54988.4025 0.0 0.0 21995.361 0.0 0.0 0.0 54988.4025 10997.6805 10997.6805 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27494.20125 0.0 0.0 15710.97214285714 0.0 109976.805 0.0 0.0 0.0 0.0 109976.805 0.0 0.0 109976.805 0.0 0.0 113
963 651.3565991501307 10.207323 17394.097 0.0 86970.485 0.0 0.0 0.0 0.0 0.0 0.0 86970.485 0.0 0.0 0.0 0.0 34788.194 0.0 86970.485 0.0 17394.097 17394.097 0.0 0.0 0.0 0.0 0.0 0.0 173940.97 0.0 0.0 0.0 0.0 86970.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86970.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173940.97 0.0 0.0 0.0 0.0 0.0 57980.32333333333 24848.71 0.0 0.0 173940.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3
964 1301.705552032887 10.22339 65854.206 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 131708.412 0.0 329271.03 0.0 65854.206 65854.206 0.0 0.0 0.0 0.0 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329271.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 0.0 219514.02 94077.43714285716 0.0 0.0 658542.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13
970 511.30302463340274 10.644516 47546.238 0.0 0.0 237731.19 0.0 0.0 0.0 0.0 0.0 0.0 237731.19 0.0 0.0 95092.476 0.0 0.0 0.0 237731.19 47546.238 47546.238 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118865.595 0.0 0.0 67923.19714285714 0.0 475462.38 0.0 0.0 0.0 0.0 475462.38 0.0 0.0 475462.38 0.0 0.0 -1
971 405.2796805391226 10.660331 8722.034 0.0 0.0 43610.17 0.0 0.0 0.0 0.0 0.0 0.0 43610.17 0.0 0.0 17444.068 0.0 0.0 0.0 43610.17 8722.034 8722.034 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21805.085 0.0 0.0 12460.048571428571 0.0 87220.34 0.0 0.0 0.0 0.0 87220.34 0.0 0.0 87220.34 0.0 0.0 -1
972 814.5082630208069 10.69194 13204.21 0.0 0.0 66021.05 0.0 0.0 0.0 0.0 0.0 0.0 66021.05 0.0 0.0 26408.42 0.0 0.0 0.0 66021.05 13204.21 13204.21 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33010.525 0.0 0.0 18863.157142857144 0.0 132042.1 0.0 0.0 0.0 0.0 132042.1 0.0 0.0 132042.1 0.0 0.0 -1
973 774.4647803457378 10.707772 8736.0055 0.0 0.0 43680.0275 0.0 0.0 0.0 0.0 0.0 0.0 43680.0275 0.0 0.0 17472.011 0.0 0.0 0.0 43680.0275 8736.0055 8736.0055 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21840.01375 0.0 0.0 12480.007857142857 0.0 87360.055 0.0 0.0 0.0 0.0 87360.055 0.0 0.0 87360.055 0.0 0.0 45
977 518.287159751831 10.901979 28064.38 140321.9 0.0 0.0 0.0 0.0 0.0 0.0 140321.9 0.0 0.0 0.0 0.0 0.0 56128.76 46773.96666666667 0.0 0.0 28064.38 28064.38 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280643.8 0.0 0.0 0.0 0.0 70160.95 0.0 0.0 40091.97142857143 93547.93333333332 0.0 0.0 0.0 0.0 140321.9 0.0 0.0 0.0 0.0 0.0 280643.8 30
978 790.4954924478108 10.931659 13904.347 0.0 0.0 69521.735 0.0 0.0 0.0 0.0 0.0 0.0 69521.735 0.0 0.0 27808.694 0.0 0.0 0.0 69521.735 13904.347 13904.347 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34760.8675 0.0 0.0 19863.352857142854 0.0 139043.47 0.0 0.0 0.0 0.0 139043.47 0.0 0.0 139043.47 0.0 0.0 19
979 496.305310947292 10.935737 61809.645 309048.22500000003 0.0 0.0 0.0 0.0 0.0 0.0 309048.22500000003 0.0 0.0 0.0 0.0 29140.484000000004 94478.806 103016.075 0.0 0.0 61809.645 61809.645 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 145702.42 0.0 0.0 0.0 0.0 472394.03 0.0 0.0 0.0 0.0 154524.11250000002 0.0 0.0 88299.49285714286 206032.15 0.0 0.0 0.0 0.0 309048.22500000003 0.0 0.0 145702.42 0.0 0.0 472394.03 89
980 742.4740126727015 10.980523 8788.983 0.0 0.0 43944.915 0.0 0.0 0.0 0.0 0.0 0.0 43944.915 0.0 0.0 17577.966 0.0 0.0 0.0 43944.915 8788.983 8788.983 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21972.4575 0.0 0.0 12555.69 0.0 87889.83 0.0 0.0 0.0 0.0 87889.83 0.0 0.0 87889.83 0.0 0.0 45
982 509.28704688669086 11.209969 190191.058 0.0 0.0 855127.97 0.0 95827.32 0.0 95827.32 0.0 0.0 855127.97 0.0 95827.32 197794.428 182587.688 31942.44 0.0 855127.97 190191.058 190191.058 0.0 0.0 797317.5 0.0 191654.64 0.0 0.0 912938.44 0.0 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 912938.44 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 912938.44 0.0 0.0 0.0 797317.5 0.0 191654.64 0.0 0.0 912938.44 0.0 0.0 247243.035 0.0 304312.8133333333 271701.5114285714 63884.880000000005 797317.5 0.0 912938.44 0.0 0.0 797317.5 191654.64 0.0 797317.5 191654.64 0.0 113
983 242.2842237702078 11.217996 11451.599 0.0 0.0 0.0 57257.995 0.0 57257.995 0.0 0.0 0.0 0.0 57257.995 0.0 22903.198 0.0 19085.998333333333 0.0 0.0 11451.599 11451.599 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114515.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38171.996666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198
984 402.3575059506669 11.264401 10039.4414 50197.207 0.0 0.0 0.0 0.0 0.0 0.0 50197.207 0.0 0.0 0.0 0.0 0.0 20078.8828 16732.402333333335 0.0 0.0 10039.4414 10039.4414 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100394.414 0.0 0.0 0.0 0.0 25098.6035 0.0 0.0 14342.059142857144 33464.80466666667 0.0 0.0 0.0 0.0 50197.207 0.0 0.0 0.0 0.0 0.0 100394.414 116 984.0 eudesmin
985 453.3251704003302 11.268671 13892.753 0.0 0.0 69463.765 0.0 0.0 0.0 0.0 0.0 0.0 69463.765 0.0 0.0 27785.506 0.0 0.0 0.0 69463.765 13892.753 13892.753 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34731.8825 0.0 0.0 19846.79 0.0 138927.53 0.0 0.0 0.0 0.0 138927.53 0.0 0.0 138927.53 0.0 0.0 143
986 260.1308376356659 11.273818 19711.867 0.0 0.0 0.0 0.0 98559.335 0.0 98559.335 0.0 0.0 0.0 0.0 98559.335 39423.734 0.0 32853.11166666667 0.0 0.0 19711.867 19711.867 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 0.0 0.0 0.0 49279.6675 0.0 0.0 28159.81 65706.22333333334 0.0 0.0 0.0 0.0 0.0 0.0 197118.67 0.0 0.0 197118.67 0.0 82
987 510.2898270197975 11.278776 26190.392 0.0 0.0 130951.96 0.0 0.0 0.0 0.0 0.0 0.0 130951.96 0.0 0.0 0.0 52380.784 0.0 0.0 130951.96 26190.392 26190.392 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 87301.30666666667 37414.84571428572 0.0 0.0 0.0 261903.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113
988 457.2771336405716 11.286811 626073.6 0.0 0.0 1499238.0 0.0 1631130.0 0.0 1631130.0 0.0 0.0 1499238.0 0.0 1631130.0 1252147.2 0.0 543710.0 0.0 1499238.0 626073.6 626073.6 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 2998476.0 0.0 3262260.0 0.0 0.0 0.0 0.0 0.0 1565184.0 0.0 0.0 894390.8571428572 1087420.0 2998476.0 0.0 0.0 0.0 0.0 2998476.0 3262260.0 0.0 2998476.0 3262260.0 0.0 30
989 452.3217380678354 11.295949 218292.239 0.0 0.0 363982.72 448667.85 278810.625 448667.85 278810.625 0.0 0.0 363982.72 448667.85 278810.625 436584.478 0.0 242492.825 0.0 363982.72 218292.239 218292.239 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 727965.44 897335.7 557621.25 0.0 0.0 0.0 0.0 0.0 321396.6725 299111.9 0.0 183655.24142857143 185873.75 727965.44 0.0 0.0 0.0 0.0 727965.44 557621.25 0.0 727965.44 557621.25 0.0 143 989.0 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
990 261.13877720953616 11.2986355 9003.103 0.0 0.0 0.0 45015.515 0.0 45015.515 0.0 0.0 0.0 0.0 45015.515 0.0 18006.206 0.0 15005.171666666669 0.0 0.0 9003.103 9003.103 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90031.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30010.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82 990.0 Spectral Match to N,N'-Diphenyl-p-phenylenediamine from NIST14
991 435.2949553538487 11.2986355 24060.47 0.0 0.0 0.0 120302.35 0.0 120302.35 0.0 0.0 0.0 0.0 120302.35 0.0 48120.94 0.0 40100.78333333333 0.0 0.0 24060.47 24060.47 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240604.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80201.56666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143 991.0 Massbank:LU125401 Bis[2-(2-butoxyethoxy)ethyl] hexandioate|Bis[2-(2-butoxyethoxy)ethyl] adipate|bis[2-(2-butoxyethoxy)ethyl] hexanedioate
992 473.2510209364093 11.304951 24060.71 0.0 0.0 0.0 0.0 120303.55 0.0 120303.55 0.0 0.0 0.0 0.0 120303.55 48121.42 0.0 40101.18333333333 0.0 0.0 24060.71 24060.71 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 0.0 0.0 0.0 60151.775 0.0 0.0 34372.44285714286 80202.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 240607.1 0.0 0.0 240607.1 0.0 146
993 494.32407430305386 11.396981 21959.678 0.0 0.0 109798.39 0.0 0.0 0.0 0.0 0.0 0.0 109798.39 0.0 0.0 43919.356 0.0 0.0 0.0 109798.39 21959.678 21959.678 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54899.195 0.0 0.0 31370.96857142857 0.0 219596.78 0.0 0.0 0.0 0.0 219596.78 0.0 0.0 219596.78 0.0 0.0 368
994 466.33137520980347 11.464339 42132.314 0.0 0.0 126693.305 0.0 83968.265 0.0 83968.265 0.0 0.0 126693.305 0.0 83968.265 50677.322 33587.306 27989.421666666665 0.0 126693.305 42132.314 42132.314 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 0.0 0.0 167936.53 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 83968.265 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 83968.265 0.0 0.0 253386.61 0.0 0.0 0.0 0.0 0.0 0.0 167936.53 63346.6525 0.0 55978.84333333333 60189.02 0.0 253386.61 0.0 0.0 167936.53 0.0 253386.61 0.0 0.0 253386.61 0.0 0.0 89
995 421.2324168645514 11.473236 67947.464 79745.71 0.0 0.0 0.0 259991.61 0.0 259991.61 79745.71 0.0 0.0 0.0 259991.61 135894.928 0.0 113245.77333333332 0.0 0.0 67947.464 67947.464 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 159491.42 0.0 0.0 0.0 519983.22 0.0 0.0 0.0 0.0 0.0 169868.66 0.0 0.0 97067.80571428571 226491.54666666663 0.0 0.0 0.0 0.0 79745.71 0.0 519983.22 159491.42 0.0 519983.22 0.0 -1 995.0 Spectral Match to Tris(2-butoxyethyl) phosphate from NIST14
996 402.3577225964965 11.51091 44063.52 0.0 0.0 0.0 140299.53 80018.07 140299.53 80018.07 0.0 0.0 0.0 140299.53 80018.07 88127.04000000001 0.0 73439.2 0.0 0.0 44063.52 44063.52 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 0.0 280599.06 160036.14 0.0 0.0 0.0 0.0 0.0 40009.035 93533.02 0.0 22862.30571428572 53345.380000000005 0.0 0.0 0.0 0.0 0.0 0.0 160036.14 0.0 0.0 160036.14 0.0 116 996.0 eudesmin
997 399.2505275759038 11.527994 31219.38 0.0 0.0 0.0 0.0 156096.9 0.0 156096.9 0.0 0.0 0.0 0.0 156096.9 62438.76 0.0 52032.3 0.0 0.0 31219.38 31219.38 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 0.0 0.0 0.0 78048.45 0.0 0.0 44599.11428571429 104064.6 0.0 0.0 0.0 0.0 0.0 0.0 312193.8 0.0 0.0 312193.8 0.0 -1 997.0 MassbankEU:SM824402 Tri(butoxyethyl) phosphate|tris(2-butoxyethyl) phosphate
998 448.28452821206105 11.605588 59893.43000000001 0.0 0.0 299467.15 0.0 0.0 0.0 0.0 0.0 0.0 299467.15 0.0 0.0 119786.86000000002 0.0 0.0 0.0 299467.15 59893.43000000001 59893.43000000001 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149733.575 0.0 0.0 85562.04285714286 0.0 598934.3 0.0 0.0 0.0 0.0 598934.3 0.0 0.0 598934.3 0.0 0.0 89
999 470.2663950641647 11.605588 20087.402 0.0 0.0 100437.01 0.0 0.0 0.0 0.0 0.0 0.0 100437.01 0.0 0.0 40174.804 0.0 0.0 0.0 100437.01 20087.402 20087.402 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50218.505 0.0 0.0 28696.28857142857 0.0 200874.02 0.0 0.0 0.0 0.0 200874.02 0.0 0.0 200874.02 0.0 0.0 146 999.0 """GLYCYRRHETINIC ACID, 18a-2"""
1000 389.1115023242791 11.624549 34361.176 104381.05 0.0 0.0 0.0 67424.83 0.0 67424.83 104381.05 0.0 0.0 0.0 67424.83 41752.42 26969.932 57268.62666666667 0.0 0.0 34361.176 34361.176 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134849.66 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 67424.83 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 67424.83 208762.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134849.66 52190.525 0.0 44949.886666666665 49087.39428571429 69587.36666666667 0.0 0.0 0.0 134849.66 104381.05 0.0 0.0 208762.1 0.0 0.0 0.0 42 1000.0 RIDOGREL
1001 615.3501494849968 11.672222 14593.712 0.0 0.0 0.0 72968.56 0.0 72968.56 0.0 0.0 0.0 0.0 72968.56 0.0 29187.424 0.0 24322.853333333333 0.0 0.0 14593.712 14593.712 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145937.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48645.706666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103
1002 411.0935170573201 11.681445 206981.489 445628.4 71994.53 0.0 328487.095 188797.42 328487.095 188797.42 445628.4 71994.53 0.0 328487.095 188797.42 268000.06 145962.918 320970.9716666667 71994.53 0.0 206981.489 206981.489 891256.8 143989.06 0.0 304754.44 0.0 0.0 0.0 0.0 352219.75 377594.84 891256.8 71994.53 0.0 304754.44 0.0 0.0 0.0 364907.295 891256.8 71994.53 0.0 304754.44 0.0 0.0 0.0 364907.295 891256.8 143989.06 0.0 304754.44 0.0 0.0 0.0 0.0 352219.75 377594.84 222814.2 266987.75 125864.94666666668 181264.52 297085.60000000003 0.0 0.0 0.0 377594.84 445628.4 0.0 0.0 891256.8 0.0 0.0 0.0 30
1003 284.3310476484815 11.684862 132450.994 115972.72 0.0 546282.25 0.0 0.0 0.0 0.0 115972.72 0.0 546282.25 0.0 0.0 264901.988 0.0 38657.57333333333 0.0 546282.25 132450.994 132450.994 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 231945.44 0.0 1092564.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 331127.485 0.0 0.0 189215.7057142857 77315.14666666667 1092564.5 0.0 0.0 0.0 115972.72 1092564.5 0.0 231945.44 1092564.5 0.0 0.0 30
1004 597.339606268155 11.688269 14912.381 0.0 0.0 0.0 74561.905 0.0 74561.905 0.0 0.0 0.0 0.0 74561.905 0.0 29824.762 0.0 24853.96833333333 0.0 0.0 14912.381 14912.381 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149123.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49707.93666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103
1006 464.2792249635485 11.728564 212734.17400000003 0.0 0.0 877534.4 0.0 186136.47 0.0 186136.47 0.0 0.0 877534.4 0.0 186136.47 351013.76 74454.588 62045.49 0.0 877534.4 212734.17400000003 212734.17400000003 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 0.0 0.0 372272.94 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 186136.47 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 186136.47 0.0 0.0 1755068.8 0.0 0.0 0.0 0.0 0.0 0.0 372272.94 438767.2 0.0 124090.98 303905.9628571429 0.0 1755068.8 0.0 0.0 372272.94 0.0 1755068.8 0.0 0.0 1755068.8 0.0 0.0 89
1007 486.2611680019917 11.747965 15662.173 0.0 0.0 78310.865 0.0 0.0 0.0 0.0 0.0 0.0 78310.865 0.0 0.0 31324.346 0.0 0.0 0.0 78310.865 15662.173 15662.173 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39155.4325 0.0 0.0 22374.532857142854 0.0 156621.73 0.0 0.0 0.0 0.0 156621.73 0.0 0.0 156621.73 0.0 0.0 30
1008 495.30793434333935 11.778661 48705.1 0.0 0.0 243525.5 0.0 0.0 0.0 0.0 0.0 0.0 243525.5 0.0 0.0 97410.2 0.0 0.0 0.0 243525.5 48705.1 48705.1 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121762.75 0.0 0.0 69578.71428571429 0.0 487051.0 0.0 0.0 0.0 0.0 487051.0 0.0 0.0 487051.0 0.0 0.0 368
1009 275.1545427241122 11.797543 107382.178 0.0 0.0 93698.99 443211.9 0.0 443211.9 0.0 0.0 0.0 93698.99 443211.9 0.0 214764.356 0.0 147737.30000000002 0.0 93698.99 107382.178 107382.178 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 187397.98 886423.8 0.0 0.0 0.0 0.0 0.0 0.0 46849.495 295474.60000000003 0.0 26771.140000000003 0.0 187397.98 0.0 0.0 0.0 0.0 187397.98 0.0 0.0 187397.98 0.0 0.0 82
1010 274.14673399593823 11.816423 69554.03 0.0 0.0 0.0 347770.15 0.0 347770.15 0.0 0.0 0.0 0.0 347770.15 0.0 139108.06 0.0 115923.38333333336 0.0 0.0 69554.03 69554.03 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 695540.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 231846.7666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82
1011 276.1578126574702 11.816423 13185.464000000002 0.0 0.0 0.0 65927.32 0.0 65927.32 0.0 0.0 0.0 0.0 65927.32 0.0 26370.928000000004 0.0 21975.77333333333 0.0 0.0 13185.464000000002 13185.464000000002 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131854.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43951.54666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82
1013 327.15338548498613 11.999347 28925.45 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 27888.816 29962.084000000003 0.0 144627.25 0.0 28925.45 28925.45 0.0 139444.08 0.0 0.0 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144627.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139444.08 0.0 0.0 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 46481.35999999999 49936.80666666667 21401.488571428574 0.0 0.0 149810.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127
1014 634.4519868958109 12.08935 35767.189 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 35549.268 35985.11 0.0 178835.945 0.0 35767.189 35767.189 0.0 177746.34 0.0 0.0 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178835.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 177746.34 0.0 0.0 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 59248.78 59975.18333333333 25703.65 0.0 0.0 179925.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90 1014.0 Nonoxynol-9
1015 524.3706648204582 12.113107 14444.458 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 28888.916 0.0 72222.29 0.0 14444.458 14444.458 0.0 0.0 0.0 0.0 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 72222.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 0.0 48148.19333333333 20634.94 0.0 0.0 144444.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1015.0 Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14
1016 590.4257726139541 12.1199045 102319.978 73963.765 437636.125 0.0 0.0 0.0 0.0 0.0 73963.765 437636.125 0.0 0.0 0.0 93458.344 111181.612 24654.588333333333 437636.125 0.0 102319.978 102319.978 0.0 467291.72 0.0 0.0 0.0 147927.53 407980.53 0.0 0.0 0.0 0.0 437636.125 0.0 0.0 0.0 147927.53 0.0 0.0 0.0 437636.125 0.0 0.0 0.0 147927.53 0.0 0.0 0.0 467291.72 0.0 0.0 0.0 147927.53 407980.53 0.0 0.0 0.0 36981.8825 155763.90666666665 135993.51 79415.43714285715 49309.176666666666 0.0 407980.53 0.0 0.0 73963.765 0.0 0.0 0.0 0.0 0.0 147927.53 90
1017 702.4786320366586 12.162375 28251.988 0.0 0.0 141259.94 0.0 0.0 0.0 0.0 0.0 0.0 141259.94 0.0 0.0 56503.976 0.0 0.0 0.0 141259.94 28251.988 28251.988 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70629.97 0.0 0.0 40359.98285714286 0.0 282519.88 0.0 0.0 0.0 0.0 282519.88 0.0 0.0 282519.88 0.0 0.0 45
1018 546.3996140706049 12.162639 30017.24 150086.2 0.0 0.0 0.0 0.0 0.0 0.0 150086.2 0.0 0.0 0.0 0.0 0.0 60034.48 50028.73333333334 0.0 0.0 30017.24 30017.24 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 300172.4 0.0 0.0 0.0 0.0 75043.1 0.0 0.0 42881.77142857143 100057.46666666667 0.0 0.0 0.0 0.0 150086.2 0.0 0.0 0.0 0.0 0.0 300172.4 90
1019 326.37811154272424 12.197108 10310.773 0.0 0.0 0.0 0.0 51553.865 0.0 51553.865 0.0 0.0 0.0 0.0 51553.865 20621.546 0.0 17184.621666666666 0.0 0.0 10310.773 10310.773 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 0.0 0.0 0.0 25776.9325 0.0 0.0 14729.675714285711 34369.24333333333 0.0 0.0 0.0 0.0 0.0 0.0 103107.73 0.0 0.0 103107.73 0.0 -1
1020 502.3734225871902 12.210926 46950.012 234750.06 0.0 0.0 0.0 0.0 0.0 0.0 234750.06 0.0 0.0 0.0 0.0 0.0 93900.024 78250.02 0.0 0.0 46950.012 46950.012 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469500.12 0.0 0.0 0.0 0.0 117375.03 0.0 0.0 67071.44571428571 156500.04 0.0 0.0 0.0 0.0 234750.06 0.0 0.0 0.0 0.0 0.0 469500.12 90
1021 510.3631044157189 12.212139 22973.419 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 45946.838 0.0 0.0 114867.095 0.0 22973.419 22973.419 0.0 229734.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114867.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 229734.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76578.06333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1022 324.28956058500165 12.217496 12878.075 0.0 0.0 0.0 64390.375 0.0 64390.375 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 25756.15 21463.45833333333 0.0 0.0 12878.075 12878.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128780.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64390.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128780.75 0.0 0.0 42926.91666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 1022.0 Spectral Match to Linoleoyl ethanolamide from NIST14
1023 507.3286666557757 12.219755 21517.4426 0.0 107587.213 0.0 0.0 0.0 0.0 0.0 0.0 107587.213 0.0 0.0 0.0 21093.018 21941.8672 0.0 107587.213 0.0 21517.4426 21517.4426 0.0 105465.09 0.0 0.0 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 107587.213 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107587.213 0.0 0.0 0.0 0.0 0.0 0.0 0.0 105465.09 0.0 0.0 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 35155.03 36569.778666666665 15672.762285714283 0.0 0.0 109709.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1025 414.321035594633 12.242403 29038.894 145194.47 0.0 0.0 0.0 0.0 0.0 0.0 145194.47 0.0 0.0 0.0 0.0 0.0 58077.788 48398.15666666667 0.0 0.0 29038.894 29038.894 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290388.94 0.0 0.0 0.0 0.0 72597.235 0.0 0.0 41484.13428571429 96796.31333333334 0.0 0.0 0.0 0.0 145194.47 0.0 0.0 0.0 0.0 0.0 290388.94 90
1026 463.3026468518157 12.248345 81621.793 101525.14 306583.825 0.0 0.0 0.0 0.0 0.0 101525.14 306583.825 0.0 0.0 0.0 61117.25 102126.336 33841.71333333333 306583.825 0.0 81621.793 81621.793 0.0 305586.25 0.0 0.0 0.0 203050.28 307581.4 0.0 0.0 0.0 0.0 306583.825 0.0 0.0 0.0 203050.28 0.0 0.0 0.0 306583.825 0.0 0.0 0.0 203050.28 0.0 0.0 0.0 305586.25 0.0 0.0 0.0 203050.28 307581.4 0.0 0.0 0.0 50762.57 101862.08333333331 102527.13333333336 72947.38285714286 67683.42666666667 0.0 307581.4 0.0 0.0 101525.14 0.0 0.0 0.0 0.0 0.0 203050.28 -1
1028 270.3154984359321 12.255567 40020.894 0.0 0.0 0.0 200104.47 0.0 200104.47 0.0 0.0 0.0 0.0 200104.47 0.0 80041.788 0.0 66701.49 0.0 0.0 40020.894 40020.894 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400208.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133402.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198
1029 397.29446425629897 12.277075 9629.058 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 19258.116 0.0 0.0 48145.29 0.0 9629.058 9629.058 0.0 96290.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48145.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 96290.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32096.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90
1030 370.2948778591532 12.284624 50915.905000000006 0.0 254579.525 0.0 0.0 0.0 0.0 0.0 0.0 254579.525 0.0 0.0 0.0 57411.406 44420.404 0.0 254579.525 0.0 50915.905000000006 50915.905000000006 0.0 287057.03 0.0 0.0 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 254579.525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 254579.525 0.0 0.0 0.0 0.0 0.0 0.0 0.0 287057.03 0.0 0.0 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 95685.67666666668 74034.00666666667 31728.86 0.0 0.0 222102.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90
1032 600.4680196911258 12.28926 14220.886 0.0 0.0 0.0 71104.43 0.0 71104.43 0.0 0.0 0.0 0.0 71104.43 0.0 28441.772 0.0 23701.476666666666 0.0 0.0 14220.886 14220.886 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142208.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47402.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1033 288.1622605222652 12.290423 125359.194 0.0 0.0 330834.78 149400.44 146560.75 149400.44 146560.75 0.0 0.0 330834.78 149400.44 146560.75 250718.388 0.0 98653.73 0.0 330834.78 125359.194 125359.194 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 661669.56 298800.88 293121.5 0.0 0.0 0.0 0.0 0.0 238697.765 99600.29333333332 0.0 136398.72285714286 97707.16666666669 661669.56 0.0 0.0 0.0 0.0 661669.56 293121.5 0.0 661669.56 293121.5 0.0 82
1034 289.1700497133576 12.304762 50675.847 0.0 0.0 0.0 253379.235 0.0 253379.235 0.0 0.0 0.0 0.0 253379.235 0.0 101351.694 0.0 84459.745 0.0 0.0 50675.847 50675.847 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 506758.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168919.49 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82
1035 457.36743192382727 12.397192 38437.872 0.0 0.0 0.0 192189.36 0.0 192189.36 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 76875.74399999999 64063.12 0.0 0.0 38437.872 38437.872 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384378.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192189.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384378.72 0.0 0.0 128126.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70
1036 424.3632783418536 12.433033 10828.243 0.0 0.0 54141.215 0.0 0.0 0.0 0.0 0.0 0.0 54141.215 0.0 0.0 21656.486 0.0 0.0 0.0 54141.215 10828.243 10828.243 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27070.6075 0.0 0.0 15468.91857142857 0.0 108282.43 0.0 0.0 0.0 0.0 108282.43 0.0 0.0 108282.43 0.0 0.0 23
1037 429.3185990643349 12.433033 14189.944 0.0 0.0 70949.72 0.0 0.0 0.0 0.0 0.0 0.0 70949.72 0.0 0.0 28379.888 0.0 0.0 0.0 70949.72 14189.944 14189.944 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35474.86 0.0 0.0 20271.34857142857 0.0 141899.44 0.0 0.0 0.0 0.0 141899.44 0.0 0.0 141899.44 0.0 0.0 30
1039 385.292831597909 12.448705 9192.311 0.0 0.0 45961.555 0.0 0.0 0.0 0.0 0.0 0.0 45961.555 0.0 0.0 18384.622 0.0 0.0 0.0 45961.555 9192.311 9192.311 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22980.7775 0.0 0.0 13131.872857142856 0.0 91923.11 0.0 0.0 0.0 0.0 91923.11 0.0 0.0 91923.11 0.0 0.0 30
1040 644.4942155582969 12.468379 11927.8875 0.0 0.0 0.0 0.0 59639.4375 0.0 59639.4375 0.0 0.0 0.0 0.0 59639.4375 23855.775 0.0 19879.8125 0.0 0.0 11927.8875 11927.8875 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 0.0 0.0 0.0 29819.71875 0.0 0.0 17039.839285714286 39759.625 0.0 0.0 0.0 0.0 0.0 0.0 119278.875 0.0 0.0 119278.875 0.0 23
1041 556.4414739254747 12.468414 37073.1514 0.0 48145.492 0.0 0.0 137220.265 0.0 137220.265 0.0 48145.492 0.0 0.0 137220.265 54888.10600000001 19258.1968 45740.08833333334 48145.492 0.0 37073.1514 37073.1514 0.0 0.0 0.0 0.0 274440.53 0.0 96290.984 0.0 0.0 0.0 0.0 48145.492 0.0 0.0 274440.53 0.0 0.0 0.0 0.0 48145.492 0.0 0.0 274440.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 274440.53 0.0 96290.984 0.0 0.0 0.0 68610.1325 0.0 32096.994666666666 52961.64485714286 91480.17666666668 0.0 96290.984 0.0 0.0 0.0 0.0 274440.53 0.0 0.0 274440.53 0.0 23
1043 341.26620150413004 12.480114 11036.766 0.0 0.0 55183.83 0.0 0.0 0.0 0.0 0.0 0.0 55183.83 0.0 0.0 22073.532 0.0 0.0 0.0 55183.83 11036.766 11036.766 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27591.915 0.0 0.0 15766.808571428572 0.0 110367.66 0.0 0.0 0.0 0.0 110367.66 0.0 0.0 110367.66 0.0 0.0 30
1044 600.4679479134497 12.515582 18777.192000000003 0.0 0.0 0.0 0.0 93885.96 0.0 93885.96 0.0 0.0 0.0 0.0 93885.96 37554.384000000005 0.0 31295.320000000003 0.0 0.0 18777.192000000003 18777.192000000003 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 0.0 0.0 0.0 46942.98 0.0 0.0 26824.56 62590.64000000001 0.0 0.0 0.0 0.0 0.0 0.0 187771.92 0.0 0.0 187771.92 0.0 23 1044.0 Polidocanol
1045 312.3623289724384 12.536865 241895.66 0.0 0.0 0.0 602909.9 606568.4 602909.9 606568.4 0.0 0.0 0.0 602909.9 606568.4 0.0 483791.32 403159.43333333335 0.0 0.0 241895.66 241895.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1205819.8 1213136.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1209478.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1209478.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1205819.8 1213136.8 0.0 401939.93333333335 404378.93333333335 173305.25714285715 0.0 0.0 0.0 0.0 1213136.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1046 726.4786569637139 12.5753355 305181.98 0.0 0.0 1525909.9 0.0 0.0 0.0 0.0 0.0 0.0 1525909.9 0.0 0.0 610363.96 0.0 0.0 0.0 1525909.9 305181.98 305181.98 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 762954.95 0.0 0.0 435974.2571428571 0.0 3051819.8 0.0 0.0 0.0 0.0 3051819.8 0.0 0.0 3051819.8 0.0 0.0 45
1047 731.4339927570019 12.5753355 136282.91 0.0 0.0 681414.55 0.0 0.0 0.0 0.0 0.0 0.0 681414.55 0.0 0.0 272565.82 0.0 0.0 0.0 681414.55 136282.91 136282.91 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 340707.275 0.0 0.0 194689.87142857144 0.0 1362829.1 0.0 0.0 0.0 0.0 1362829.1 0.0 0.0 1362829.1 0.0 0.0 -1
1048 424.3631089798776 12.582023 79178.209 0.0 163105.03 0.0 76105.25 156680.765 76105.25 156680.765 0.0 163105.03 0.0 76105.25 156680.765 127946.452 30409.966 77595.33833333333 163105.03 0.0 79178.209 79178.209 0.0 174160.23 0.0 152210.5 313361.53 0.0 152049.83 0.0 0.0 0.0 0.0 163105.03 0.0 152210.5 313361.53 0.0 0.0 0.0 0.0 163105.03 0.0 152210.5 313361.53 0.0 0.0 0.0 0.0 174160.23 0.0 152210.5 313361.53 0.0 152049.83 0.0 0.0 0.0 78340.3825 108790.24333333332 50683.276666666665 66487.33714285714 104453.84333333334 0.0 152049.83 0.0 0.0 0.0 0.0 313361.53 0.0 0.0 313361.53 0.0 23
1038 512.4154152919727 12.59534 39319.43 0.0 0.0 0.0 0.0 196597.15 0.0 196597.15 0.0 0.0 0.0 0.0 196597.15 78638.86 0.0 65532.38333333333 0.0 0.0 39319.43 39319.43 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 0.0 0.0 0.0 98298.575 0.0 0.0 56170.61428571429 131064.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 393194.3 0.0 0.0 393194.3 0.0 23
1049 517.3707448099397 12.59534 15010.261 0.0 0.0 0.0 0.0 75051.305 0.0 75051.305 0.0 0.0 0.0 0.0 75051.305 30020.522 0.0 25017.101666666666 0.0 0.0 15010.261 15010.261 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 0.0 0.0 0.0 37525.6525 0.0 0.0 21443.23 50034.20333333333 0.0 0.0 0.0 0.0 0.0 0.0 150102.61 0.0 0.0 150102.61 0.0 30
1042 468.3892080240349 12.627494 36910.962 0.0 0.0 0.0 0.0 184554.81 0.0 184554.81 0.0 0.0 0.0 0.0 184554.81 73821.924 0.0 61518.27 0.0 0.0 36910.962 36910.962 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 0.0 0.0 0.0 92277.405 0.0 0.0 52729.94571428571 123036.54 0.0 0.0 0.0 0.0 0.0 0.0 369109.62 0.0 0.0 369109.62 0.0 23
1050 473.3446248890272 12.627494 32877.484000000004 0.0 0.0 0.0 0.0 164387.42 0.0 164387.42 0.0 0.0 0.0 0.0 164387.42 65754.96800000001 0.0 54795.80666666667 0.0 0.0 32877.484000000004 32877.484000000004 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 0.0 0.0 0.0 82193.71 0.0 0.0 46967.83428571429 109591.61333333334 0.0 0.0 0.0 0.0 0.0 0.0 328774.84 0.0 0.0 328774.84 0.0 146
1051 403.232374374816 12.668085 57761.84 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 56972.880000000005 58550.8 0.0 288809.2 0.0 57761.84 57761.84 0.0 284864.4 0.0 0.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 288809.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284864.4 0.0 0.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 94954.8 97584.66666666669 41822.0 0.0 0.0 292754.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 1051.0 SCHEMBL658597
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1057 385.2924073861258 12.692667 82650.73300000001 0.0 0.0 0.0 97953.515 315300.15 97953.515 315300.15 0.0 0.0 0.0 97953.515 315300.15 165301.466 0.0 137751.22166666668 0.0 0.0 82650.73300000001 82650.73300000001 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 0.0 195907.03 630600.3 0.0 0.0 0.0 0.0 0.0 157650.075 65302.34333333333 0.0 90085.75714285715 210200.1 0.0 0.0 0.0 0.0 0.0 0.0 630600.3 0.0 0.0 630600.3 0.0 30
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1060 297.2398219743612 12.759609 43336.96 0.0 68801.08 0.0 70259.805 77623.915 70259.805 77623.915 0.0 68801.08 0.0 70259.805 77623.915 86673.92 0.0 49294.57333333333 68801.08 0.0 43336.96 43336.96 0.0 137602.16 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 0.0 0.0 68801.08 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 68801.08 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 137602.16 0.0 140519.61 155247.83 0.0 0.0 0.0 0.0 0.0 38811.9575 92707.25666666668 0.0 22178.261428571423 51749.276666666665 0.0 0.0 0.0 0.0 0.0 0.0 155247.83 0.0 0.0 155247.83 0.0 -1
1061 501.0857935623885 12.772147 12915.411 64577.055 0.0 0.0 0.0 0.0 0.0 0.0 64577.055 0.0 0.0 0.0 0.0 25830.822 0.0 21525.685 0.0 0.0 12915.411 12915.411 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129154.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32288.5275 0.0 0.0 18450.587142857144 43051.37 0.0 0.0 0.0 0.0 64577.055 0.0 0.0 129154.11 0.0 0.0 0.0 -1
1062 480.156773766476 12.775638 94306.495 189337.2 0.0 0.0 158603.765 123591.51 158603.765 123591.51 189337.2 0.0 0.0 158603.765 123591.51 75734.88 112878.11000000002 157177.49166666667 0.0 0.0 94306.495 94306.495 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317207.53 247183.02 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 282195.275 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 282195.275 378674.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 317207.53 247183.02 94668.6 105735.84333333334 82394.34 89408.20285714287 126224.8 0.0 0.0 0.0 247183.02 189337.2 0.0 0.0 378674.4 0.0 0.0 0.0 42 1062.0 713139-25-4
1063 280.26333141371686 12.799044 130330.33 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 132530.13999999998 128130.52 0.0 651651.6499999999 0.0 130330.33 130330.33 0.0 662650.7 0.0 0.0 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 651651.6499999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 662650.7 0.0 0.0 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 220883.56666666665 213550.86666666667 91521.8 0.0 0.0 640652.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83 1063.0 linoleic acid
1064 463.13029200534953 12.811396 139944.075 226849.015 0.0 0.0 315160.625 157710.735 315160.625 157710.735 226849.015 0.0 0.0 315160.625 157710.735 139714.306 140173.84399999998 233240.125 0.0 0.0 139944.075 139944.075 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 0.0 385447.75 315421.47 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 350434.61 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 350434.61 453698.03 0.0 0.0 244873.5 0.0 0.0 0.0 0.0 385447.75 315421.47 113424.5075 210107.0833333333 105140.49 109874.21428571428 151232.67666666667 0.0 0.0 0.0 315421.47 226849.015 0.0 0.0 453698.03 0.0 0.0 0.0 42 1064.0 630407-66-8
1065 922.549620529742 12.828337 53819.725 0.0 0.0 269098.625 0.0 0.0 0.0 0.0 0.0 0.0 269098.625 0.0 0.0 107639.45 0.0 0.0 0.0 269098.625 53819.725 53819.725 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134549.3125 0.0 0.0 76885.32142857143 0.0 538197.25 0.0 0.0 0.0 0.0 538197.25 0.0 0.0 538197.25 0.0 0.0 148
1066 439.3205086167808 12.8439 30285.347 0.0 0.0 151426.735 0.0 0.0 0.0 0.0 0.0 0.0 151426.735 0.0 0.0 60570.694 0.0 0.0 0.0 151426.735 30285.347 30285.347 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75713.3675 0.0 0.0 43264.78142857143 0.0 302853.47 0.0 0.0 0.0 0.0 302853.47 0.0 0.0 302853.47 0.0 0.0 -1
1067 479.3130535531309 12.8439 106551.24 0.0 0.0 532756.2 0.0 0.0 0.0 0.0 0.0 0.0 532756.2 0.0 0.0 213102.48 0.0 0.0 0.0 532756.2 106551.24 106551.24 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 266378.1 0.0 0.0 152216.05714285714 0.0 1065512.4 0.0 0.0 0.0 0.0 1065512.4 0.0 0.0 1065512.4 0.0 0.0 12
1068 480.3163589778747 12.8439 32507.416 0.0 0.0 162537.08 0.0 0.0 0.0 0.0 0.0 0.0 162537.08 0.0 0.0 65014.832 0.0 0.0 0.0 162537.08 32507.416 32507.416 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81268.54 0.0 0.0 46439.16571428571 0.0 325074.16 0.0 0.0 0.0 0.0 325074.16 0.0 0.0 325074.16 0.0 0.0 12
1069 702.536188275019 12.85626 14699.819 0.0 0.0 0.0 73499.095 0.0 73499.095 0.0 0.0 0.0 0.0 73499.095 0.0 29399.638 0.0 24499.698333333334 0.0 0.0 14699.819 14699.819 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146998.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48999.39666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1070 485.1121495301287 12.8758335 369083.046 658256.8 162407.8 216930.36 453564.995 354255.275 453564.995 354255.275 658256.8 162407.8 216930.36 453564.995 354255.275 523899.038 214267.054 488692.3566666667 162407.8 216930.36 369083.046 369083.046 1316513.6 324815.6 148035.5 667424.94 162705.55 0.0 0.0 285825.22 239705.05 545805.0 1316513.6 162407.8 148035.5 667424.94 162705.55 0.0 285825.22 392755.025 1316513.6 162407.8 148035.5 667424.94 162705.55 0.0 285825.22 392755.025 1316513.6 324815.6 148035.5 667424.94 162705.55 0.0 0.0 285825.22 239705.05 545805.0 406813.6625 410648.53 277210.0733333333 351269.26714285713 493073.0500000001 148035.5 0.0 285825.22 545805.0 658256.8 148035.5 162705.55 1316513.6 148035.5 162705.55 0.0 30
1071 804.510801435391 12.875922 11399.7055 0.0 0.0 56998.5275 0.0 0.0 0.0 0.0 0.0 0.0 56998.5275 0.0 0.0 22799.411 0.0 0.0 0.0 56998.5275 11399.7055 11399.7055 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28499.26375 0.0 0.0 16285.29357142857 0.0 113997.055 0.0 0.0 0.0 0.0 113997.055 0.0 0.0 113997.055 0.0 0.0 19
1072 425.3026745884199 12.891559 60261.825 0.0 0.0 301309.125 0.0 0.0 0.0 0.0 0.0 0.0 301309.125 0.0 0.0 120523.65 0.0 0.0 0.0 301309.125 60261.825 60261.825 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150654.5625 0.0 0.0 86088.32142857143 0.0 602618.25 0.0 0.0 0.0 0.0 602618.25 0.0 0.0 602618.25 0.0 0.0 22
1073 658.5095413363753 12.90289 30184.3 0.0 0.0 0.0 150921.5 0.0 150921.5 0.0 0.0 0.0 0.0 150921.5 0.0 60368.6 0.0 50307.16666666666 0.0 0.0 30184.3 30184.3 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301843.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100614.33333333331 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1074 917.593735201681 12.9196415 136352.649 0.0 0.0 681763.245 0.0 0.0 0.0 0.0 0.0 0.0 681763.245 0.0 0.0 249954.32 22750.978 0.0 0.0 681763.245 136352.649 136352.649 0.0 0.0 1249771.6 0.0 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 113754.89 0.0 0.0 0.0 1249771.6 0.0 0.0 0.0 0.0 113754.89 0.0 0.0 312442.9 0.0 37918.29666666667 194789.49857142856 0.0 1249771.6 0.0 113754.89 0.0 0.0 1249771.6 0.0 0.0 1249771.6 0.0 0.0 19
1075 614.4833884762211 12.960344 112648.453 51728.175 122674.47 96275.48 235475.85 57088.29 235475.85 57088.29 51728.175 122674.47 96275.48 235475.85 57088.29 161984.292 63312.614 114764.105 122674.47 96275.48 112648.453 112648.453 0.0 123543.09 101250.09 470951.7 114176.58 103456.35 121805.85 91300.87 0.0 0.0 0.0 122674.47 101250.09 470951.7 114176.58 103456.35 91300.87 0.0 0.0 122674.47 101250.09 470951.7 114176.58 103456.35 91300.87 0.0 0.0 123543.09 101250.09 470951.7 114176.58 103456.35 121805.85 91300.87 0.0 0.0 79720.755 198164.93 71035.57333333333 75998.53428571428 72544.31 101250.09 121805.85 91300.87 0.0 51728.175 101250.09 114176.58 0.0 101250.09 114176.58 103456.35 23 1075.0 L-lysine_(E) -dec-2-enoyl chloride
1076 205.1108463193473 12.966361 8556.595 0.0 0.0 0.0 42782.975 0.0 42782.975 0.0 0.0 0.0 0.0 42782.975 0.0 17113.19 0.0 14260.991666666669 0.0 0.0 8556.595 8556.595 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85565.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28521.983333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1077 317.2061698098572 12.982198 20462.153 0.0 0.0 0.0 102310.765 0.0 102310.765 0.0 0.0 0.0 0.0 102310.765 0.0 40924.306 0.0 34103.58833333333 0.0 0.0 20462.153 20462.153 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204621.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68207.17666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1078 409.2145903057379 12.982198 66065.03 0.0 0.0 0.0 330325.15 0.0 330325.15 0.0 0.0 0.0 0.0 330325.15 0.0 132130.06 0.0 110108.38333333336 0.0 0.0 66065.03 66065.03 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 660650.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220216.7666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220
1080 427.3028007830091 12.997743 44860.172 0.0 0.0 0.0 224300.86 0.0 224300.86 0.0 0.0 0.0 0.0 224300.86 0.0 89720.344 0.0 74766.95333333332 0.0 0.0 44860.172 44860.172 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 448601.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 149533.90666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1081 223.06362309139664 13.02962 11832.5945 0.0 0.0 0.0 59162.9725 0.0 59162.9725 0.0 0.0 0.0 0.0 59162.9725 0.0 23665.189 0.0 19720.990833333333 0.0 0.0 11832.5945 11832.5945 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118325.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39441.98166666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1083 531.3866053613502 13.050352 13986.767000000002 0.0 0.0 0.0 0.0 69933.835 0.0 69933.835 0.0 0.0 0.0 0.0 69933.835 27973.534000000003 0.0 23311.278333333332 0.0 0.0 13986.767000000002 13986.767000000002 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 0.0 0.0 0.0 34966.9175 0.0 0.0 19981.095714285715 46622.55666666667 0.0 0.0 0.0 0.0 0.0 0.0 139867.67 0.0 0.0 139867.67 0.0 30
1088 399.3081835756186 13.05068 48271.76 0.0 0.0 241358.8 0.0 0.0 0.0 0.0 0.0 0.0 241358.8 0.0 0.0 96543.52 0.0 0.0 0.0 241358.8 48271.76 48271.76 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120679.4 0.0 0.0 68959.65714285713 0.0 482717.6 0.0 0.0 0.0 0.0 482717.6 0.0 0.0 482717.6 0.0 0.0 30
1086 443.3343935314626 13.05068 46268.144 0.0 0.0 231340.72 0.0 0.0 0.0 0.0 0.0 0.0 231340.72 0.0 0.0 92536.288 0.0 0.0 0.0 231340.72 46268.144 46268.144 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115670.36 0.0 0.0 66097.34857142858 0.0 462681.44 0.0 0.0 0.0 0.0 462681.44 0.0 0.0 462681.44 0.0 0.0 30
1084 487.3604957780535 13.064563 77271.208 0.0 0.0 104961.79 115503.69 165890.56 115503.69 165890.56 0.0 0.0 104961.79 115503.69 165890.56 154542.416 0.0 93798.08333333331 0.0 104961.79 77271.208 77271.208 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 209923.58 231007.38 331781.12 0.0 0.0 0.0 0.0 0.0 135426.175 77002.46 0.0 77386.3857142857 110593.70666666668 209923.58 0.0 0.0 0.0 0.0 209923.58 331781.12 0.0 209923.58 331781.12 0.0 30
1091 365.18834268976383 13.156504 41904.494 0.0 0.0 0.0 209522.47 0.0 209522.47 0.0 0.0 0.0 0.0 209522.47 0.0 83808.988 0.0 69840.82333333333 0.0 0.0 41904.494 41904.494 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 419044.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139681.64666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1092 559.1310536019046 13.158628 10036.387 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 20072.774 0.0 50181.935 0.0 10036.387 10036.387 0.0 0.0 0.0 0.0 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50181.935 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 0.0 33454.62333333333 14337.695714285714 0.0 0.0 100363.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1093 493.3290209806541 13.226002 16172.27 0.0 0.0 80861.35 0.0 0.0 0.0 0.0 0.0 0.0 80861.35 0.0 0.0 32344.54 0.0 0.0 0.0 80861.35 16172.27 16172.27 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40430.675 0.0 0.0 23103.242857142857 0.0 161722.7 0.0 0.0 0.0 0.0 161722.7 0.0 0.0 161722.7 0.0 0.0 -1
1094 281.051060921516 13.234834 28434.18 0.0 0.0 0.0 142170.9 0.0 142170.9 0.0 0.0 0.0 0.0 142170.9 0.0 56868.36 0.0 47390.3 0.0 0.0 28434.18 28434.18 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284341.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94780.6 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 0.0 119 1094.0 Spectral Match to Cyclotetrasiloxane, octamethyl- from NIST14
1095 297.0823715453125 13.234834 17001.886 0.0 0.0 0.0 85009.43 0.0 85009.43 0.0 0.0 0.0 0.0 85009.43 0.0 34003.772 0.0 28336.476666666666 0.0 0.0 17001.886 17001.886 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170018.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56672.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1096 299.06165755972614 13.234834 56180.89 0.0 0.0 0.0 280904.45 0.0 280904.45 0.0 0.0 0.0 0.0 280904.45 0.0 112361.78 0.0 93634.81666666668 0.0 0.0 56180.89 56180.89 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 561808.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187269.63333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1097 313.11370867429684 13.234834 15921.564000000002 0.0 0.0 0.0 79607.82 0.0 79607.82 0.0 0.0 0.0 0.0 79607.82 0.0 31843.128000000004 0.0 26535.94 0.0 0.0 15921.564000000002 15921.564000000002 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159215.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53071.880000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1098 315.09299538231033 13.234834 20232.328 0.0 0.0 0.0 101161.64 0.0 101161.64 0.0 0.0 0.0 0.0 101161.64 0.0 40464.656 0.0 33720.54666666667 0.0 0.0 20232.328 20232.328 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202323.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67441.09333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1099 322.07761831906294 13.234834 34153.812 0.0 0.0 0.0 170769.06 0.0 170769.06 0.0 0.0 0.0 0.0 170769.06 0.0 68307.624 0.0 56923.02 0.0 0.0 34153.812 34153.812 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 341538.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113846.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1100 336.1297016906487 13.234834 13242.784 0.0 0.0 0.0 66213.92 0.0 66213.92 0.0 0.0 0.0 0.0 66213.92 0.0 26485.568 0.0 22071.306666666667 0.0 0.0 13242.784 13242.784 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132427.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44142.613333333335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119
1101 744.489419908027 13.272666 143539.35 0.0 0.0 717696.75 0.0 0.0 0.0 0.0 0.0 0.0 717696.75 0.0 0.0 287078.7 0.0 0.0 0.0 717696.75 143539.35 143539.35 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 358848.375 0.0 0.0 205056.2142857143 0.0 1435393.5 0.0 0.0 0.0 0.0 1435393.5 0.0 0.0 1435393.5 0.0 0.0 45
1102 749.4450670660644 13.272666 44725.053 0.0 0.0 223625.265 0.0 0.0 0.0 0.0 0.0 0.0 223625.265 0.0 0.0 89450.106 0.0 0.0 0.0 223625.265 44725.053 44725.053 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111812.6325 0.0 0.0 63892.93285714286 0.0 447250.53 0.0 0.0 0.0 0.0 447250.53 0.0 0.0 447250.53 0.0 0.0 15
1103 904.5612370435653 13.298088 99119.511 0.0 0.0 113769.025 0.0 381828.53 0.0 381828.53 0.0 0.0 113769.025 0.0 381828.53 45507.61 152731.412 127276.17666666668 0.0 113769.025 99119.511 99119.511 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 0.0 0.0 763657.06 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 381828.53 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 381828.53 0.0 0.0 227538.05 0.0 0.0 0.0 0.0 0.0 0.0 763657.06 56884.5125 0.0 254552.35333333336 141599.30142857143 0.0 227538.05 0.0 0.0 763657.06 0.0 227538.05 0.0 0.0 227538.05 0.0 0.0 19
1104 256.26346220861586 13.363818 58530.709 0.0 196523.735 0.0 96129.81 0.0 96129.81 0.0 0.0 196523.735 0.0 96129.81 0.0 78629.812 38431.606 32043.27 196523.735 0.0 58530.709 58530.709 0.0 200889.44 0.0 192259.62 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 196523.735 0.0 192259.62 0.0 0.0 0.0 0.0 0.0 196523.735 0.0 192259.62 0.0 0.0 0.0 0.0 0.0 200889.44 0.0 192259.62 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 131049.68666666666 64052.676666666666 27451.147142857146 0.0 0.0 192158.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30 1104.0 Spectral Match to Palmitamide from NIST14
1105 937.5492568734702 13.36801 33346.520000000004 0.0 0.0 166732.6 0.0 0.0 0.0 0.0 0.0 0.0 166732.6 0.0 0.0 66693.04000000001 0.0 0.0 0.0 166732.6 33346.520000000004 33346.520000000004 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83366.3 0.0 0.0 47637.88571428572 0.0 333465.2 0.0 0.0 0.0 0.0 333465.2 0.0 0.0 333465.2 0.0 0.0 15
1106 311.25572010736363 13.411243 15439.816 0.0 0.0 0.0 77199.08 0.0 77199.08 0.0 0.0 0.0 0.0 77199.08 0.0 30879.632 0.0 25733.02666666667 0.0 0.0 15439.816 15439.816 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154398.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51466.05333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1107 672.5257290696538 13.507614 12808.2914 0.0 0.0 0.0 64041.457 0.0 64041.457 0.0 0.0 0.0 0.0 64041.457 0.0 25616.5828 0.0 21347.15233333333 0.0 0.0 12808.2914 12808.2914 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128082.914 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42694.30466666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1108 628.4993715997332 13.539889 28041.194 0.0 0.0 0.0 140205.97 0.0 140205.97 0.0 0.0 0.0 0.0 140205.97 0.0 56082.388 0.0 46735.32333333333 0.0 0.0 28041.194 28041.194 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280411.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93470.64666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1109 548.3002993939185 13.5934 37734.672 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 39460.932 36008.412 0.0 188673.36 0.0 37734.672 37734.672 0.0 197304.66 0.0 0.0 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188673.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197304.66 0.0 0.0 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 65768.22 60014.02 25720.294285714284 0.0 0.0 180042.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18
1110 282.27901526481094 13.601709 76884.06899999999 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 75773.23199999999 77994.906 0.0 384420.345 0.0 76884.06899999999 76884.06899999999 0.0 378866.16 0.0 0.0 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384420.345 0.0 0.0 0.0 0.0 0.0 0.0 0.0 378866.16 0.0 0.0 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 126288.72 129991.51 55710.647142857146 0.0 0.0 389974.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83 1110.0 phytosphingosine
1111 391.2039461393648 13.602998 22883.51 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 45767.02 0.0 0.0 114417.55 0.0 22883.51 22883.51 0.0 228835.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114417.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228835.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76278.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1112 413.32385758774353 13.608627 29665.362 0.0 0.0 148326.81 0.0 0.0 0.0 0.0 0.0 0.0 148326.81 0.0 0.0 59330.724 0.0 0.0 0.0 148326.81 29665.362 29665.362 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74163.405 0.0 0.0 42379.08857142857 0.0 296653.62 0.0 0.0 0.0 0.0 296653.62 0.0 0.0 296653.62 0.0 0.0 30
1113 457.3500087446892 13.608627 25765.477 0.0 0.0 128827.385 0.0 0.0 0.0 0.0 0.0 0.0 128827.385 0.0 0.0 51530.954 0.0 0.0 0.0 128827.385 25765.477 25765.477 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64413.6925 0.0 0.0 36807.82428571428 0.0 257654.77 0.0 0.0 0.0 0.0 257654.77 0.0 0.0 257654.77 0.0 0.0 -1 1113.0 """BOSWELLIC ACID, B"""
1114 425.28731602110486 13.62318 21776.927 0.0 0.0 0.0 0.0 108884.635 0.0 108884.635 0.0 0.0 0.0 0.0 108884.635 43553.854 0.0 36294.87833333333 0.0 0.0 21776.927 21776.927 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 0.0 0.0 0.0 54442.3175 0.0 0.0 31109.895714285714 72589.75666666667 0.0 0.0 0.0 0.0 0.0 0.0 217769.27 0.0 0.0 217769.27 0.0 30
1115 369.2975435474211 13.640278 22570.058 0.0 0.0 112850.29 0.0 0.0 0.0 0.0 0.0 0.0 112850.29 0.0 0.0 45140.116 0.0 0.0 0.0 112850.29 22570.058 22570.058 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56425.145 0.0 0.0 32242.94 0.0 225700.58 0.0 0.0 0.0 0.0 225700.58 0.0 0.0 225700.58 0.0 0.0 146
1116 904.560141336326 13.6415825 52455.1105 0.0 0.0 262275.5525 0.0 0.0 0.0 0.0 0.0 0.0 262275.5525 0.0 0.0 20361.961 84548.26 0.0 0.0 262275.5525 52455.1105 52455.1105 0.0 0.0 101809.805 0.0 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 422741.3 0.0 0.0 0.0 101809.805 0.0 0.0 0.0 0.0 422741.3 0.0 0.0 25452.45125 0.0 140913.76666666666 74935.87214285714 0.0 101809.805 0.0 422741.3 0.0 0.0 101809.805 0.0 0.0 101809.805 0.0 0.0 19
1117 584.4728506289035 13.658886 30157.033 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 29706.856 30607.21 0.0 150785.16499999998 0.0 30157.033 30157.033 0.0 148534.28 0.0 0.0 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150785.16499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148534.28 0.0 0.0 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 49511.426666666666 51012.01666666666 21862.292857142857 0.0 0.0 153036.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1118 860.573829024698 13.671899 18863.436 0.0 0.0 94317.18 0.0 0.0 0.0 0.0 0.0 0.0 94317.18 0.0 0.0 37726.872 0.0 0.0 0.0 94317.18 18863.436 18863.436 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47158.59 0.0 0.0 26947.765714285717 0.0 188634.36 0.0 0.0 0.0 0.0 188634.36 0.0 0.0 188634.36 0.0 0.0 19
1119 452.3942424208471 13.682021 15276.958 76384.79 0.0 0.0 0.0 0.0 0.0 0.0 76384.79 0.0 0.0 0.0 0.0 0.0 30553.916 25461.596666666665 0.0 0.0 15276.958 15276.958 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152769.58 0.0 0.0 0.0 0.0 38192.395 0.0 0.0 21824.225714285712 50923.19333333333 0.0 0.0 0.0 0.0 76384.79 0.0 0.0 0.0 0.0 0.0 152769.58 23
1120 379.2041331300359 13.68308 98848.294 0.0 0.0 0.0 494241.47 0.0 494241.47 0.0 0.0 0.0 0.0 494241.47 0.0 197696.588 0.0 164747.15666666665 0.0 0.0 98848.294 98848.294 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 988482.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 329494.3133333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1121 335.16670771478306 13.6990185 12359.1234 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 24718.2468 0.0 61795.617 0.0 12359.1234 12359.1234 0.0 0.0 0.0 0.0 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 0.0 61795.617 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 0.0 41197.078 17655.890571428572 0.0 0.0 123591.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1122 345.2375248305175 13.6992655 12903.596 0.0 0.0 0.0 64517.98 0.0 64517.98 0.0 0.0 0.0 0.0 64517.98 0.0 25807.192000000003 0.0 21505.993333333336 0.0 0.0 12903.596 12903.596 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129035.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43011.98666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1123 383.1997202197144 13.6992655 12392.604 0.0 0.0 0.0 61963.02 0.0 61963.02 0.0 0.0 0.0 0.0 61963.02 0.0 24785.208 0.0 20654.34 0.0 0.0 12392.604 12392.604 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123926.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41308.68 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1124 397.21429265827845 13.6992655 16230.616 0.0 0.0 0.0 81153.08 0.0 81153.08 0.0 0.0 0.0 0.0 81153.08 0.0 32461.232 0.0 27051.02666666667 0.0 0.0 16230.616 16230.616 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162306.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54102.05333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1125 437.24603213451786 13.6992655 32253.662 0.0 0.0 0.0 161268.31 0.0 161268.31 0.0 0.0 0.0 0.0 161268.31 0.0 64507.324 0.0 53756.10333333333 0.0 0.0 32253.662 32253.662 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 322536.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107512.20666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220
1126 540.4466823875806 13.700616 52950.571 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 51859.51 54041.632 0.0 264752.855 0.0 52950.571 52950.571 0.0 259297.55 0.0 0.0 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264752.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259297.55 0.0 0.0 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 86432.51666666666 90069.38666666666 38601.16571428571 0.0 0.0 270208.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1127 496.4205501571071 13.705162 83042.513 76188.625 339023.94 0.0 0.0 0.0 0.0 0.0 76188.625 339023.94 0.0 0.0 0.0 67871.076 98213.95 25396.20833333333 339023.94 0.0 83042.513 83042.513 0.0 339355.38 0.0 0.0 0.0 152377.25 338692.5 0.0 0.0 0.0 0.0 339023.94 0.0 0.0 0.0 152377.25 0.0 0.0 0.0 339023.94 0.0 0.0 0.0 152377.25 0.0 0.0 0.0 339355.38 0.0 0.0 0.0 152377.25 338692.5 0.0 0.0 0.0 38094.3125 113118.46 112897.5 70152.82142857143 50792.41666666666 0.0 338692.5 0.0 0.0 76188.625 0.0 0.0 0.0 0.0 0.0 152377.25 23
1128 559.1306137778143 13.717749 35730.770000000004 178653.85 0.0 0.0 0.0 0.0 0.0 0.0 178653.85 0.0 0.0 0.0 0.0 71461.54000000001 0.0 59551.28333333333 0.0 0.0 35730.770000000004 35730.770000000004 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357307.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 89326.925 0.0 0.0 51043.95714285714 119102.56666666668 0.0 0.0 0.0 0.0 178653.85 0.0 0.0 357307.7 0.0 0.0 0.0 30
1129 554.1756535536065 13.730773 114481.254 227316.33 0.0 0.0 233143.18 111946.76 233143.18 111946.76 227316.33 0.0 0.0 233143.18 111946.76 137510.688 91451.82 190802.09 0.0 0.0 114481.254 114481.254 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 0.0 233365.58 223893.52 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 228629.55 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 228629.55 454632.66 0.0 0.0 232920.78 0.0 0.0 0.0 0.0 233365.58 223893.52 113658.165 155428.78666666665 74631.17333333332 96932.31142857144 151544.22 0.0 0.0 0.0 223893.52 227316.33 0.0 0.0 454632.66 0.0 0.0 0.0 42 1129.0 """(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol"""
1130 408.3682167577156 13.731287 32324.284000000003 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 64648.56800000001 0.0 161621.42 0.0 32324.284000000003 32324.284000000003 0.0 0.0 0.0 0.0 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 161621.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 0.0 107747.61333333334 46177.548571428575 0.0 0.0 323242.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1131 948.5888698841997 13.833068 138904.547 0.0 0.0 522569.22 0.0 171953.515 0.0 171953.515 0.0 0.0 522569.22 0.0 171953.515 209027.688 68781.406 57317.83833333334 0.0 522569.22 138904.547 138904.547 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 0.0 0.0 343907.03 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 171953.515 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 171953.515 0.0 0.0 1045138.44 0.0 0.0 0.0 0.0 0.0 0.0 343907.03 261284.61 0.0 114635.67666666668 198435.06714285715 0.0 1045138.44 0.0 0.0 343907.03 0.0 1045138.44 0.0 0.0 1045138.44 0.0 0.0 19
1132 361.2340171172037 13.847191 36998.412 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 37782.734 36214.09 0.0 184992.06 0.0 36998.412 36998.412 0.0 188913.67 0.0 0.0 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184992.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188913.67 0.0 0.0 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 62971.223333333335 60356.81666666667 25867.207142857143 0.0 0.0 181070.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127
1133 383.2160153558706 13.847191 29027.317 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 30026.21 28028.424 0.0 145136.585 0.0 29027.317 29027.317 0.0 150131.05 0.0 0.0 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145136.585 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150131.05 0.0 0.0 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 50043.68333333333 46714.04 20020.30285714285 0.0 0.0 140142.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127
1134 336.3119909379817 13.85574 38635.436 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 40332.612 36938.26 0.0 193177.18 0.0 38635.436 38635.436 0.0 201663.06 0.0 0.0 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 193177.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 201663.06 0.0 0.0 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 67221.02 61563.76666666666 26384.471428571425 0.0 0.0 184691.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1135 953.5444243593076 13.880342 40919.853 0.0 0.0 204599.265 0.0 0.0 0.0 0.0 0.0 0.0 204599.265 0.0 0.0 81839.706 0.0 0.0 0.0 204599.265 40919.853 40919.853 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102299.6325 0.0 0.0 58456.93285714286 0.0 409198.53 0.0 0.0 0.0 0.0 409198.53 0.0 0.0 409198.53 0.0 0.0 15
1136 282.2216815467704 13.920722 64258.406 0.0 0.0 0.0 321292.03 0.0 321292.03 0.0 0.0 0.0 0.0 321292.03 0.0 128516.812 0.0 107097.34333333334 0.0 0.0 64258.406 64258.406 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 642584.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 214194.68666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57
1137 325.2713679903288 13.9533415 13030.9516 0.0 0.0 0.0 65154.758 0.0 65154.758 0.0 0.0 0.0 0.0 65154.758 0.0 26061.9032 0.0 21718.252666666667 0.0 0.0 13030.9516 13030.9516 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130309.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43436.50533333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1138 879.5439766932674 13.994552 29178.840000000004 0.0 0.0 0.0 0.0 145894.2 0.0 145894.2 0.0 0.0 0.0 0.0 145894.2 0.0 58357.68000000001 48631.4 0.0 0.0 29178.840000000004 29178.840000000004 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145894.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145894.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 97262.8 41684.05714285715 0.0 0.0 0.0 0.0 291788.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150
1139 273.1387107146153 14.007053 15351.781 0.0 0.0 76758.905 0.0 0.0 0.0 0.0 0.0 0.0 76758.905 0.0 0.0 30703.562 0.0 0.0 0.0 76758.905 15351.781 15351.781 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38379.4525 0.0 0.0 21931.11571428572 0.0 153517.81 0.0 0.0 0.0 0.0 153517.81 0.0 0.0 153517.81 0.0 0.0 82
1140 287.1543418074401 14.007053 8090.647 0.0 0.0 40453.235 0.0 0.0 0.0 0.0 0.0 0.0 40453.235 0.0 0.0 16181.294 0.0 0.0 0.0 40453.235 8090.647 8090.647 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20226.6175 0.0 0.0 11558.067142857142 0.0 80906.47 0.0 0.0 0.0 0.0 80906.47 0.0 0.0 80906.47 0.0 0.0 82
1141 455.3342560349541 14.081077 87270.55600000001 0.0 0.0 0.0 436352.78 0.0 436352.78 0.0 0.0 0.0 0.0 436352.78 0.0 174541.11200000002 0.0 145450.92666666667 0.0 0.0 87270.55600000001 87270.55600000001 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 872705.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290901.85333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1142 456.33765464325023 14.081077 21205.672 0.0 0.0 0.0 106028.36 0.0 106028.36 0.0 0.0 0.0 0.0 106028.36 0.0 42411.344 0.0 35342.78666666667 0.0 0.0 21205.672 21205.672 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 212056.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70685.57333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1 1142.0 """BOSWELLIC ACID, B"""
1143 393.2198072191909 14.109105 444627.6109999999 0.0 377492.625 72810.03 1772835.4 0.0 1772835.4 0.0 0.0 377492.625 72810.03 1772835.4 0.0 889255.2219999998 0.0 590945.1333333333 377492.625 72810.03 444627.6109999999 444627.6109999999 0.0 754985.25 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 377492.625 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 377492.625 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 754985.25 145620.06 3545670.8 0.0 0.0 0.0 0.0 0.0 0.0 36405.015 1433552.0166666666 0.0 20802.86571428572 0.0 145620.06 0.0 0.0 0.0 0.0 145620.06 0.0 0.0 145620.06 0.0 0.0 75
1144 953.543352798136 14.11502 10222.332 0.0 0.0 51111.66 0.0 0.0 0.0 0.0 0.0 0.0 51111.66 0.0 0.0 0.0 20444.664 0.0 0.0 51111.66 10222.332 10222.332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 34074.44 14603.33142857143 0.0 0.0 0.0 102223.32 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15
1145 948.5877306415748 14.147208 40733.884000000005 0.0 0.0 203669.42 0.0 0.0 0.0 0.0 0.0 0.0 203669.42 0.0 0.0 0.0 81467.76800000001 0.0 0.0 203669.42 40733.884000000005 40733.884000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 135779.61333333334 58191.26285714286 0.0 0.0 0.0 407338.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1146 959.6197472934292 14.160692 18058.598 0.0 0.0 0.0 90292.99 0.0 90292.99 0.0 0.0 0.0 0.0 90292.99 0.0 36117.196 0.0 30097.66333333333 0.0 0.0 18058.598 18058.598 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180585.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60195.32666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1147 932.593986372488 14.165238 8729.7336 0.0 0.0 43648.668 0.0 0.0 0.0 0.0 0.0 0.0 43648.668 0.0 0.0 17459.4672 0.0 0.0 0.0 43648.668 8729.7336 8729.7336 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21824.334 0.0 0.0 12471.048 0.0 87297.336 0.0 0.0 0.0 0.0 87297.336 0.0 0.0 87297.336 0.0 0.0 19
1148 937.5498078703456 14.165238 11395.4164 0.0 0.0 56977.082 0.0 0.0 0.0 0.0 0.0 0.0 56977.082 0.0 0.0 22790.8328 0.0 0.0 0.0 56977.082 11395.4164 11395.4164 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28488.541 0.0 0.0 16279.166285714286 0.0 113954.164 0.0 0.0 0.0 0.0 113954.164 0.0 0.0 113954.164 0.0 0.0 15
1149 352.1930743898904 14.175975 15241.852 0.0 0.0 0.0 76209.26 0.0 76209.26 0.0 0.0 0.0 0.0 76209.26 0.0 30483.704 0.0 25403.086666666662 0.0 0.0 15241.852 15241.852 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 152418.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50806.17333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1150 391.2245407795747 14.175975 13167.977 0.0 0.0 0.0 65839.885 0.0 65839.885 0.0 0.0 0.0 0.0 65839.885 0.0 26335.954 0.0 21946.62833333333 0.0 0.0 13167.977 13167.977 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131679.77 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43893.25666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1151 702.2132936590331 14.176151 23980.65 0.0 46549.35 0.0 73353.9 0.0 73353.9 0.0 0.0 46549.35 0.0 73353.9 0.0 47961.3 0.0 24451.3 46549.35 0.0 23980.65 23980.65 0.0 93098.7 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46549.35 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 46549.35 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 93098.7 0.0 146707.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79935.5 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 42 1151.0 Contaminant vial septum ThermoFisher C5000-44B
1152 259.12283429159413 14.19206 16523.731 0.0 0.0 0.0 82618.655 0.0 82618.655 0.0 0.0 0.0 0.0 82618.655 0.0 33047.462 0.0 27539.551666666663 0.0 0.0 16523.731 16523.731 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 165237.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55079.10333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82
1153 629.1950869973358 14.207915 14676.075 0.0 0.0 0.0 73380.375 0.0 73380.375 0.0 0.0 0.0 0.0 73380.375 0.0 29352.15 0.0 24460.125 0.0 0.0 14676.075 14676.075 0.0 0.0 0.0 146760.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146760.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146760.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146760.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48920.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42 1153.0 Contaminant vial septum ThermoFisher C5000-44B
1154 172.11539683912144 14.271544 100462.375 0.0 502311.875 0.0 0.0 0.0 0.0 0.0 0.0 502311.875 0.0 0.0 0.0 100320.294 100604.456 0.0 502311.875 0.0 100462.375 100462.375 0.0 501601.47 0.0 0.0 0.0 0.0 503022.28 0.0 0.0 0.0 0.0 502311.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 502311.875 0.0 0.0 0.0 0.0 0.0 0.0 0.0 501601.47 0.0 0.0 0.0 0.0 503022.28 0.0 0.0 0.0 0.0 167200.49 167674.09333333335 71860.32571428572 0.0 0.0 503022.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 241
1155 399.1930594528635 14.271544 45298.118 0.0 226490.59000000003 0.0 0.0 0.0 0.0 0.0 0.0 226490.59000000003 0.0 0.0 0.0 51503.546 39092.69 0.0 226490.59000000003 0.0 45298.118 45298.118 0.0 257517.73 0.0 0.0 0.0 0.0 195463.45 0.0 0.0 0.0 0.0 226490.59000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226490.59000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 257517.73 0.0 0.0 0.0 0.0 195463.45 0.0 0.0 0.0 0.0 85839.24333333333 65154.48333333334 27923.35 0.0 0.0 195463.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127
1156 663.5698483670011 14.275081 44050.594 0.0 0.0 220252.97 0.0 0.0 0.0 0.0 0.0 0.0 220252.97 0.0 0.0 0.0 88101.188 0.0 0.0 220252.97 44050.594 44050.594 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440505.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440505.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440505.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440505.94 0.0 0.0 0.0 0.0 146835.31333333332 62929.42 0.0 0.0 0.0 440505.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1157 378.2087620728184 14.297064 91455.813 0.0 104359.415 0.0 352919.65 0.0 352919.65 0.0 0.0 104359.415 0.0 352919.65 0.0 182911.626 0.0 117639.88333333336 104359.415 0.0 91455.813 91455.813 0.0 208718.83 0.0 705839.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104359.415 0.0 705839.3 0.0 0.0 0.0 0.0 0.0 104359.415 0.0 705839.3 0.0 0.0 0.0 0.0 0.0 208718.83 0.0 705839.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 304852.71 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1158 931.609953097463 14.356932 10511.552 0.0 0.0 52557.76 0.0 0.0 0.0 0.0 0.0 0.0 52557.76 0.0 0.0 21023.104 0.0 0.0 0.0 52557.76 10511.552 10511.552 0.0 0.0 105115.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 105115.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 105115.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 105115.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26278.88 0.0 0.0 15016.502857142856 0.0 105115.52 0.0 0.0 0.0 0.0 105115.52 0.0 0.0 105115.52 0.0 0.0 19
1159 921.587275012608 14.3740635 54219.286 0.0 0.0 110004.83 0.0 161091.6 0.0 161091.6 0.0 0.0 110004.83 0.0 161091.6 44001.932 64436.64 53697.2 0.0 110004.83 54219.286 54219.286 0.0 0.0 220009.66 0.0 0.0 0.0 0.0 0.0 0.0 322183.2 0.0 0.0 220009.66 0.0 0.0 0.0 0.0 161091.6 0.0 0.0 220009.66 0.0 0.0 0.0 0.0 161091.6 0.0 0.0 220009.66 0.0 0.0 0.0 0.0 0.0 0.0 322183.2 55002.415 0.0 107394.4 77456.12285714285 0.0 220009.66 0.0 0.0 322183.2 0.0 220009.66 0.0 0.0 220009.66 0.0 0.0 19
1160 628.1942541672286 14.383932 10650.4625 53252.3125 0.0 0.0 0.0 0.0 0.0 0.0 53252.3125 0.0 0.0 0.0 0.0 0.0 21300.925 17750.770833333332 0.0 0.0 10650.4625 10650.4625 0.0 0.0 0.0 0.0 0.0 106504.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106504.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106504.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106504.625 0.0 0.0 0.0 0.0 26626.15625 0.0 0.0 15214.94642857143 35501.541666666664 0.0 0.0 0.0 0.0 53252.3125 0.0 0.0 0.0 0.0 0.0 106504.625 42 1160.0 Contaminant vial septum ThermoFisher C5000-44B
1161 517.3636682364705 14.399342 20081.836 0.0 0.0 0.0 100409.18 0.0 100409.18 0.0 0.0 0.0 0.0 100409.18 0.0 40163.672 0.0 33469.72666666666 0.0 0.0 20081.836 20081.836 0.0 0.0 0.0 200818.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200818.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200818.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200818.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 66939.45333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1162 918.5781793995678 14.405137 1763529.11 0.0 0.0 3458231.75 0.0 5359413.8 0.0 5359413.8 0.0 0.0 3458231.75 0.0 5359413.8 1662342.8199999998 1864715.4 1786471.2666666666 0.0 3458231.75 1763529.11 1763529.11 0.0 0.0 6916463.5 0.0 1395250.6 0.0 0.0 0.0 0.0 9323577.0 0.0 0.0 6916463.5 0.0 1395250.6 0.0 0.0 4661788.5 0.0 0.0 6916463.5 0.0 1395250.6 0.0 0.0 4661788.5 0.0 0.0 6916463.5 0.0 1395250.6 0.0 0.0 0.0 0.0 9323577.0 2077928.525 0.0 3107859.0 2519327.3000000003 465083.5333333334 6916463.5 0.0 0.0 9323577.0 0.0 6916463.5 1395250.6 0.0 6916463.5 1395250.6 0.0 19
1163 923.5335316534124 14.405137 843144.5900000001 0.0 0.0 2411551.75 0.0 1804171.2 0.0 1804171.2 0.0 0.0 2411551.75 0.0 1804171.2 1169582.38 516706.8 601390.4 0.0 2411551.75 843144.5900000001 843144.5900000001 0.0 0.0 4823103.5 0.0 1024808.4 0.0 0.0 0.0 0.0 2583534.0 0.0 0.0 4823103.5 0.0 1024808.4 0.0 0.0 1291767.0 0.0 0.0 4823103.5 0.0 1024808.4 0.0 0.0 1291767.0 0.0 0.0 4823103.5 0.0 1024808.4 0.0 0.0 0.0 0.0 2583534.0 1461977.975 0.0 861178.0 1204492.2714285715 341602.8 4823103.5 0.0 0.0 2583534.0 0.0 4823103.5 1024808.4 0.0 4823103.5 1024808.4 0.0 15
1164 945.5157453831551 14.419079 72376.324 0.0 0.0 179303.47 0.0 182578.15 0.0 182578.15 0.0 0.0 179303.47 0.0 182578.15 144752.648 0.0 60859.38333333333 0.0 179303.47 72376.324 72376.324 0.0 0.0 358606.94 0.0 365156.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 358606.94 0.0 365156.3 0.0 0.0 0.0 0.0 0.0 358606.94 0.0 365156.3 0.0 0.0 0.0 0.0 0.0 358606.94 0.0 365156.3 0.0 0.0 0.0 0.0 0.0 180940.81 0.0 0.0 103394.74857142856 121718.76666666666 358606.94 0.0 0.0 0.0 0.0 358606.94 365156.3 0.0 358606.94 365156.3 0.0 -1
1165 407.2355457986896 14.46392 25962.44 0.0 0.0 0.0 129812.2 0.0 129812.2 0.0 0.0 0.0 0.0 129812.2 0.0 51924.88 0.0 43270.73333333333 0.0 0.0 25962.44 25962.44 0.0 0.0 0.0 259624.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259624.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259624.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259624.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 86541.46666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1166 953.5443453074942 14.480509 52260.516 0.0 0.0 261302.58 0.0 0.0 0.0 0.0 0.0 0.0 261302.58 0.0 0.0 104521.032 0.0 0.0 0.0 261302.58 52260.516 52260.516 0.0 0.0 522605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 522605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 522605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 522605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130651.29 0.0 0.0 74657.87999999999 0.0 522605.16 0.0 0.0 0.0 0.0 522605.16 0.0 0.0 522605.16 0.0 0.0 15
1167 284.29476542032734 14.536087 80202.156 0.0 276377.375 0.0 124633.405 0.0 124633.405 0.0 0.0 276377.375 0.0 124633.405 0.0 104059.212 56345.1 41544.46833333333 276377.375 0.0 80202.156 80202.156 0.0 271029.25 0.0 249266.81 0.0 0.0 281725.5 0.0 0.0 0.0 0.0 276377.375 0.0 249266.81 0.0 0.0 0.0 0.0 0.0 276377.375 0.0 249266.81 0.0 0.0 0.0 0.0 0.0 271029.25 0.0 249266.81 0.0 0.0 281725.5 0.0 0.0 0.0 0.0 173432.02 93908.5 40246.5 0.0 0.0 281725.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30 1167.0 Spectral Match to Octadecanamide from NIST14
1168 477.3186671793744 14.560013 11913.0625 0.0 0.0 0.0 59565.3125 0.0 59565.3125 0.0 0.0 0.0 0.0 59565.3125 0.0 23826.125 0.0 19855.104166666668 0.0 0.0 11913.0625 11913.0625 0.0 0.0 0.0 119130.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119130.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119130.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119130.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39710.208333333336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1169 948.5881087129452 14.5603695 80838.28400000001 0.0 0.0 404191.42 0.0 0.0 0.0 0.0 0.0 0.0 404191.42 0.0 0.0 92021.98 69654.588 0.0 0.0 404191.42 80838.28400000001 80838.28400000001 0.0 0.0 460109.9 0.0 0.0 0.0 0.0 348272.94 0.0 0.0 0.0 0.0 460109.9 0.0 0.0 0.0 348272.94 0.0 0.0 0.0 460109.9 0.0 0.0 0.0 348272.94 0.0 0.0 0.0 460109.9 0.0 0.0 0.0 0.0 348272.94 0.0 0.0 115027.475 0.0 116090.98 115483.26285714286 0.0 460109.9 0.0 348272.94 0.0 0.0 460109.9 0.0 0.0 460109.9 0.0 0.0 19
1170 885.3680304726845 14.624347 36279.197 0.0 0.0 0.0 181395.985 0.0 181395.985 0.0 0.0 0.0 0.0 181395.985 0.0 72558.394 0.0 60465.32833333333 0.0 0.0 36279.197 36279.197 0.0 0.0 0.0 362791.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362791.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362791.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362791.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120930.65666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130
1171 902.394668782554 14.624347 79890.81999999999 0.0 0.0 0.0 399454.1 0.0 399454.1 0.0 0.0 0.0 0.0 399454.1 0.0 159781.63999999998 0.0 133151.36666666667 0.0 0.0 79890.81999999999 79890.81999999999 0.0 0.0 0.0 798908.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 798908.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 798908.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 798908.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 266302.73333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130
1172 907.3500062624228 14.624347 38139.662 0.0 0.0 0.0 190698.31 0.0 190698.31 0.0 0.0 0.0 0.0 190698.31 0.0 76279.324 0.0 63566.10333333333 0.0 0.0 38139.662 38139.662 0.0 0.0 0.0 381396.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 381396.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 381396.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 381396.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 127132.20666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1173 918.5769588270784 14.64023 700117.75 0.0 0.0 3500588.75 0.0 0.0 0.0 0.0 0.0 0.0 3500588.75 0.0 0.0 0.0 1400235.5 0.0 0.0 3500588.75 700117.75 700117.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7001177.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7001177.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7001177.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7001177.5 0.0 0.0 0.0 0.0 2333725.833333333 1000168.2142857144 0.0 0.0 0.0 7001177.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1174 921.5861378686956 14.64023 23083.003 0.0 0.0 115415.015 0.0 0.0 0.0 0.0 0.0 0.0 115415.015 0.0 0.0 0.0 46166.006 0.0 0.0 115415.015 23083.003 23083.003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230830.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230830.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230830.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230830.03 0.0 0.0 0.0 0.0 76943.34333333334 32975.71857142857 0.0 0.0 0.0 230830.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1175 923.532432655112 14.64023 92968.4 0.0 0.0 464842.0 0.0 0.0 0.0 0.0 0.0 0.0 464842.0 0.0 0.0 0.0 185936.8 0.0 0.0 464842.0 92968.4 92968.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 929684.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 929684.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 929684.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 929684.0 0.0 0.0 0.0 0.0 309894.6666666667 132812.0 0.0 0.0 0.0 929684.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15
1176 744.5828924197949 14.682324 12588.879 0.0 62944.395 0.0 0.0 0.0 0.0 0.0 0.0 62944.395 0.0 0.0 0.0 25177.758 0.0 0.0 62944.395 0.0 12588.879 12588.879 0.0 125888.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62944.395 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62944.395 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125888.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41962.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1177 700.5569018595452 14.70299 28807.371000000003 0.0 144036.855 0.0 0.0 0.0 0.0 0.0 0.0 144036.855 0.0 0.0 0.0 29188.796 28425.946000000004 0.0 144036.855 0.0 28807.371000000003 28807.371000000003 0.0 145943.98 0.0 0.0 0.0 0.0 142129.73 0.0 0.0 0.0 0.0 144036.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144036.855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145943.98 0.0 0.0 0.0 0.0 142129.73 0.0 0.0 0.0 0.0 48647.99333333334 47376.57666666667 20304.247142857144 0.0 0.0 142129.73 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1178 256.2634575011808 14.710956 24458.487 0.0 122292.435 0.0 0.0 0.0 0.0 0.0 0.0 122292.435 0.0 0.0 0.0 27134.29 21782.684 0.0 122292.435 0.0 24458.487 24458.487 0.0 135671.45 0.0 0.0 0.0 0.0 108913.42 0.0 0.0 0.0 0.0 122292.435 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122292.435 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135671.45 0.0 0.0 0.0 0.0 108913.42 0.0 0.0 0.0 0.0 45223.81666666667 36304.473333333335 15559.06 0.0 0.0 108913.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20
1179 368.42510796495344 14.71941 12591.128 0.0 0.0 0.0 62955.64 0.0 62955.64 0.0 0.0 0.0 0.0 62955.64 0.0 25182.256 0.0 20985.213333333333 0.0 0.0 12591.128 12591.128 0.0 0.0 0.0 125911.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125911.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125911.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125911.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41970.426666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1180 656.5305741989569 14.7267685 32821.825 0.0 164109.125 0.0 0.0 0.0 0.0 0.0 0.0 164109.125 0.0 0.0 0.0 33460.688 32182.962 0.0 164109.125 0.0 32821.825 32821.825 0.0 167303.44 0.0 0.0 0.0 0.0 160914.81 0.0 0.0 0.0 0.0 164109.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164109.125 0.0 0.0 0.0 0.0 0.0 0.0 0.0 167303.44 0.0 0.0 0.0 0.0 160914.81 0.0 0.0 0.0 0.0 55767.81333333333 53638.27 22987.83 0.0 0.0 160914.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1181 702.2128382348999 14.734268 9449.772 0.0 0.0 47248.86 0.0 0.0 0.0 0.0 0.0 0.0 47248.86 0.0 0.0 0.0 18899.544 0.0 0.0 47248.86 9449.772 9449.772 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94497.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94497.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94497.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94497.72 0.0 0.0 0.0 0.0 31499.24 13499.674285714284 0.0 0.0 0.0 94497.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42 1181.0 Contaminant vial septum ThermoFisher C5000-44B
1182 612.50443232256 14.742546 34914.636 0.0 174573.18 0.0 0.0 0.0 0.0 0.0 0.0 174573.18 0.0 0.0 0.0 33531.0 36298.272 0.0 174573.18 0.0 34914.636 34914.636 0.0 167655.0 0.0 0.0 0.0 0.0 181491.36 0.0 0.0 0.0 0.0 174573.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174573.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 167655.0 0.0 0.0 0.0 0.0 181491.36 0.0 0.0 0.0 0.0 55885.0 60497.12 25927.33714285714 0.0 0.0 181491.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1183 758.5053106575397 14.747275 40154.497 0.0 0.0 200772.485 0.0 0.0 0.0 0.0 0.0 0.0 200772.485 0.0 0.0 80308.99399999999 0.0 0.0 0.0 200772.485 40154.497 40154.497 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100386.2425 0.0 0.0 57363.56714285714 0.0 401544.97 0.0 0.0 0.0 0.0 401544.97 0.0 0.0 401544.97 0.0 0.0 45
1184 763.4608706362833 14.747275 22846.878 0.0 0.0 114234.39 0.0 0.0 0.0 0.0 0.0 0.0 114234.39 0.0 0.0 45693.756 0.0 0.0 0.0 114234.39 22846.878 22846.878 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57117.195 0.0 0.0 32638.397142857146 0.0 228468.78 0.0 0.0 0.0 0.0 228468.78 0.0 0.0 228468.78 0.0 0.0 15
1185 568.4780150208502 14.758137 32607.833 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 31290.390000000003 33925.276 0.0 163039.165 0.0 32607.833 32607.833 0.0 156451.95 0.0 0.0 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163039.165 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156451.95 0.0 0.0 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 52150.65 56542.12666666667 24232.34 0.0 0.0 169626.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1186 273.13854381161923 14.7627735 10989.2266 0.0 0.0 54946.133 0.0 0.0 0.0 0.0 0.0 0.0 54946.133 0.0 0.0 21978.4532 0.0 0.0 0.0 54946.133 10989.2266 10989.2266 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27473.0665 0.0 0.0 15698.895142857144 0.0 109892.266 0.0 0.0 0.0 0.0 109892.266 0.0 0.0 109892.266 0.0 0.0 82
1187 418.3679493237195 14.766555 15655.304999999998 0.0 0.0 0.0 78276.525 0.0 78276.525 0.0 0.0 0.0 0.0 78276.525 0.0 31310.61 0.0 26092.175 0.0 0.0 15655.304999999998 15655.304999999998 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156553.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52184.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8
1188 524.4518000082517 14.787615 15974.558 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 31949.116 0.0 79872.79 0.0 15974.558 15974.558 0.0 0.0 0.0 0.0 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 79872.79 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 0.0 53248.526666666665 22820.79714285714 0.0 0.0 159745.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1189 874.5891355443572 14.792525 130822.84 0.0 0.0 654114.2 0.0 0.0 0.0 0.0 0.0 0.0 654114.2 0.0 0.0 261645.68 0.0 0.0 0.0 654114.2 130822.84 130822.84 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 327057.1 0.0 0.0 186889.7714285714 0.0 1308228.4 0.0 0.0 0.0 0.0 1308228.4 0.0 0.0 1308228.4 0.0 0.0 19
1190 480.4256002659882 14.799221 26820.348 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 25615.34 28025.356 0.0 134101.74 0.0 26820.348 26820.348 0.0 128076.7 0.0 0.0 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134101.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128076.7 0.0 0.0 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 42692.23333333333 46708.926666666666 20018.11142857143 0.0 0.0 140126.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1191 669.4697054990995 14.815607 15174.588 0.0 0.0 0.0 75872.94 0.0 75872.94 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 30349.176 25290.98 0.0 0.0 15174.588 15174.588 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151745.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75872.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151745.88 0.0 0.0 50581.96 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155
1193 803.5427057508734 14.829321 60097.990000000005 0.0 0.0 0.0 0.0 300489.95 0.0 300489.95 0.0 0.0 0.0 0.0 300489.95 120195.98 0.0 100163.31666666668 0.0 0.0 60097.990000000005 60097.990000000005 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 0.0 0.0 0.0 150244.975 0.0 0.0 85854.27142857143 200326.63333333333 0.0 0.0 0.0 0.0 0.0 0.0 600979.9 0.0 0.0 600979.9 0.0 271
1198 393.2974271311349 14.837382 1830550.35 0.0 0.0 632378.3 7961358.5 559014.95 7961358.5 559014.95 0.0 0.0 632378.3 7961358.5 559014.95 3661100.7 0.0 2840124.483333333 0.0 632378.3 1830550.35 1830550.35 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 1264756.6 15922717.0 1118029.9 0.0 0.0 0.0 0.0 0.0 595696.625 5307572.333333333 0.0 340398.0714285714 372676.6333333333 1264756.6 0.0 0.0 0.0 0.0 1264756.6 1118029.9 0.0 1264756.6 1118029.9 0.0 30
1194 423.32556572749706 14.839007 39188.615000000005 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 39105.696 39271.534 0.0 195943.075 0.0 39188.615000000005 39188.615000000005 0.0 195528.48 0.0 0.0 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195943.075 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195528.48 0.0 0.0 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 65176.16 65452.55666666667 28051.095714285715 0.0 0.0 196357.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77
1195 413.265989143201 14.841261 490367.4535 231022.1975 536203.77 0.0 860694.55 823916.75 860694.55 823916.75 231022.1975 536203.77 0.0 860694.55 823916.75 814856.6799999999 165878.227 638544.4991666666 536203.77 0.0 490367.4535 490367.4535 361386.7 599577.7 0.0 1465485.5 1647833.5 100657.695 472829.84 0.0 255903.6 0.0 361386.7 536203.77 0.0 1465485.5 1647833.5 100657.695 0.0 127951.8 361386.7 536203.77 0.0 1465485.5 1647833.5 100657.695 0.0 127951.8 361386.7 599577.7 0.0 1465485.5 1647833.5 100657.695 472829.84 0.0 255903.6 0.0 527469.47375 773655.6 157609.94666666668 368958.2478571428 703292.6316666667 0.0 472829.84 0.0 0.0 231022.1975 0.0 1647833.5 361386.7 0.0 1647833.5 100657.695 271
1197 392.287535385912 14.85189 138941.78199999998 0.0 0.0 0.0 449327.6 245381.31 449327.6 245381.31 0.0 0.0 0.0 449327.6 245381.31 277883.56399999995 0.0 231569.63666666663 0.0 0.0 138941.78199999998 138941.78199999998 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 0.0 898655.2 490762.62 0.0 0.0 0.0 0.0 0.0 122690.655 299551.73333333334 0.0 70108.94571428571 163587.54 0.0 0.0 0.0 0.0 0.0 0.0 490762.62 0.0 0.0 490762.62 0.0 -1 1197.0 BIS(2-ETHYLHEXYL)PHTHALATE
1200 259.19027684712825 14.859855 55294.52 0.0 0.0 0.0 276472.6 0.0 276472.6 0.0 0.0 0.0 0.0 276472.6 0.0 110589.04 0.0 92157.53333333333 0.0 0.0 55294.52 55294.52 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 552945.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184315.06666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123 1200.0 Spectral Match to Dibutyl adipate from NIST14
1201 409.271349487187 14.859855 14475.103 0.0 0.0 0.0 72375.515 0.0 72375.515 0.0 0.0 0.0 0.0 72375.515 0.0 28950.206 0.0 24125.171666666665 0.0 0.0 14475.103 14475.103 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144751.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48250.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1202 783.5747481419788 14.864715 238796.19000000003 0.0 111462.85 0.0 806129.3 276388.8 806129.3 276388.8 0.0 111462.85 0.0 806129.3 276388.8 477592.38000000006 0.0 360839.3666666667 111462.85 0.0 238796.19000000003 238796.19000000003 0.0 222925.7 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 0.0 0.0 111462.85 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 111462.85 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 222925.7 0.0 1612258.6 552777.6 0.0 0.0 0.0 0.0 0.0 138194.4 611728.1 0.0 78968.22857142857 184259.2 0.0 0.0 0.0 0.0 0.0 0.0 552777.6 0.0 0.0 552777.6 0.0 271
1203 394.3007522412792 14.866905 69717.662 0.0 230769.49 0.0 0.0 117818.82 0.0 117818.82 0.0 230769.49 0.0 0.0 117818.82 98555.924 40879.4 39272.94 230769.49 0.0 69717.662 69717.662 0.0 257141.98 0.0 0.0 235637.64 0.0 204397.0 0.0 0.0 0.0 0.0 230769.49 0.0 0.0 235637.64 0.0 0.0 0.0 0.0 230769.49 0.0 0.0 235637.64 0.0 0.0 0.0 0.0 257141.98 0.0 0.0 235637.64 0.0 204397.0 0.0 0.0 0.0 58909.41 85713.99333333333 68132.33333333333 62862.09142857143 78545.88 0.0 204397.0 0.0 0.0 0.0 0.0 235637.64 0.0 0.0 235637.64 0.0 -1
1204 763.6060438165758 14.867592 596585.799 0.0 85963.445 144611.55 2752354.0 0.0 2752354.0 0.0 0.0 85963.445 144611.55 2752354.0 0.0 1193171.598 0.0 917451.3333333334 85963.445 144611.55 596585.799 596585.799 0.0 171926.89 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 85963.445 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 85963.445 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 171926.89 289223.1 5504708.0 0.0 0.0 0.0 0.0 0.0 0.0 72305.775 1892211.63 0.0 41317.58571428571 0.0 289223.1 0.0 0.0 0.0 0.0 289223.1 0.0 0.0 289223.1 0.0 0.0 57
1196 391.2840819834868 14.8687935 947159.47 0.0 2351369.8 0.0 1395957.1 988470.45 1395957.1 988470.45 0.0 2351369.8 0.0 1395957.1 988470.45 1427685.7799999998 466633.16 794809.1833333332 2351369.8 0.0 947159.47 947159.47 0.0 2369573.8 0.0 2791914.2 1976940.9 0.0 2333165.8 0.0 0.0 0.0 0.0 2351369.8 0.0 2791914.2 1976940.9 0.0 0.0 0.0 0.0 2351369.8 0.0 2791914.2 1976940.9 0.0 0.0 0.0 0.0 2369573.8 0.0 2791914.2 1976940.9 0.0 2333165.8 0.0 0.0 0.0 494235.225 1720496.0 777721.9333333332 615729.5285714285 658980.2999999999 0.0 2333165.8 0.0 0.0 0.0 0.0 1976940.9 0.0 0.0 1976940.9 0.0 123 1196.0 DEHP CollisionEnergy:205060
1205 893.5592631663459 14.870416 1181581.53 0.0 0.0 0.0 0.0 5907907.65 0.0 5907907.65 0.0 0.0 0.0 0.0 5907907.65 1592384.7 770778.36 1969302.55 0.0 0.0 1181581.53 1181581.53 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 0.0 0.0 3853891.8 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 1926945.9 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 1926945.9 0.0 0.0 0.0 0.0 7961923.5 0.0 0.0 0.0 0.0 3853891.8 1990480.875 0.0 1284630.6 1687973.6142857145 2653974.5 0.0 0.0 0.0 3853891.8 0.0 0.0 7961923.5 0.0 0.0 7961923.5 0.0 261
1206 888.6040009799901 14.878141 2480337.6 0.0 0.0 0.0 0.0 12401688.0 0.0 12401688.0 0.0 0.0 0.0 0.0 12401688.0 3057977.4 1902697.8 4133896.0 0.0 0.0 2480337.6 2480337.6 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 0.0 0.0 9513489.0 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 4756744.5 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 4756744.5 0.0 0.0 0.0 0.0 15289887.0 0.0 0.0 0.0 0.0 9513489.0 3822471.75 0.0 3171163.0 3543339.4285714286 5096629.0 0.0 0.0 0.0 9513489.0 0.0 0.0 15289887.0 0.0 0.0 15289887.0 0.0 19
1207 891.6131734070434 14.878141 84580.38100000001 0.0 0.0 0.0 0.0 422901.905 0.0 422901.905 0.0 0.0 0.0 0.0 422901.905 103187.85 65972.912 140967.30166666667 0.0 0.0 84580.38100000001 84580.38100000001 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 0.0 0.0 329864.56 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 164932.28 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 164932.28 0.0 0.0 0.0 0.0 515939.25 0.0 0.0 0.0 0.0 329864.56 128984.8125 0.0 109954.85333333332 120829.11571428573 171979.75 0.0 0.0 0.0 329864.56 0.0 0.0 515939.25 0.0 0.0 515939.25 0.0 19
1211 388.3419675256885 14.882131 368965.931 0.0 750031.655 0.0 1094798.0 0.0 1094798.0 0.0 0.0 750031.655 0.0 1094798.0 0.0 593262.012 144669.85 364932.6666666667 750031.655 0.0 368965.931 368965.931 0.0 776714.06 0.0 2189596.0 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 750031.655 0.0 2189596.0 0.0 0.0 0.0 0.0 0.0 750031.655 0.0 2189596.0 0.0 0.0 0.0 0.0 0.0 776714.06 0.0 2189596.0 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 988770.02 241116.41666666663 103335.60714285714 0.0 0.0 723349.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123
1199 371.31531297446986 14.882263 358467.48 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 716934.96 0.0 1792337.4 0.0 358467.48 358467.48 0.0 0.0 0.0 0.0 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1792337.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 0.0 1194891.6 512096.4 0.0 0.0 3584674.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123 1199.0 Spectral Match to Hexanedioic acid, bis(2-ethylhexyl) ester from NIST14
1208 892.6159894699703 14.8826 13621.503 0.0 0.0 68107.515 0.0 0.0 0.0 0.0 0.0 0.0 68107.515 0.0 0.0 27243.006 0.0 0.0 0.0 68107.515 13621.503 13621.503 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34053.7575 0.0 0.0 19459.29 0.0 136215.03 0.0 0.0 0.0 0.0 136215.03 0.0 0.0 136215.03 0.0 0.0 261
1209 915.6238532681124 14.8826 33908.666 0.0 0.0 169543.33 0.0 0.0 0.0 0.0 0.0 0.0 169543.33 0.0 0.0 67817.332 0.0 0.0 0.0 169543.33 33908.666 33908.666 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 84771.665 0.0 0.0 48440.95142857143 0.0 339086.66 0.0 0.0 0.0 0.0 339086.66 0.0 0.0 339086.66 0.0 0.0 19
1210 1813.185082470958 14.8826 17285.645 0.0 0.0 86428.225 0.0 0.0 0.0 0.0 0.0 0.0 86428.225 0.0 0.0 34571.29 0.0 0.0 0.0 86428.225 17285.645 17285.645 0.0 0.0 172856.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172856.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172856.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 172856.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43214.1125 0.0 0.0 24693.77857142857 0.0 172856.45 0.0 0.0 0.0 0.0 172856.45 0.0 0.0 172856.45 0.0 0.0 -1
1212 500.3943817956434 14.885697 64754.626 0.0 323773.13 0.0 0.0 0.0 0.0 0.0 0.0 323773.13 0.0 0.0 0.0 75099.23199999999 54410.02 0.0 323773.13 0.0 64754.626 64754.626 0.0 375496.16 0.0 0.0 0.0 0.0 272050.1 0.0 0.0 0.0 0.0 323773.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 323773.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 375496.16 0.0 0.0 0.0 0.0 272050.1 0.0 0.0 0.0 0.0 125165.38666666666 90683.36666666664 38864.3 0.0 0.0 272050.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178
1213 425.3047453341881 14.885837 24987.454 0.0 124937.27 0.0 0.0 0.0 0.0 0.0 0.0 124937.27 0.0 0.0 0.0 26834.46 23140.448 0.0 124937.27 0.0 24987.454 24987.454 0.0 134172.3 0.0 0.0 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 124937.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124937.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134172.3 0.0 0.0 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 44724.1 38567.41333333334 16528.89142857143 0.0 0.0 115702.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77
1214 914.6203146486122 14.889633 116945.011 0.0 0.0 312589.45 0.0 272135.605 0.0 272135.605 0.0 0.0 312589.45 0.0 272135.605 157179.44199999998 76710.58 90711.86833333332 0.0 312589.45 116945.011 116945.011 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 0.0 0.0 383552.9 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 191776.45 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 191776.45 0.0 0.0 625178.9 0.0 160718.31 0.0 0.0 0.0 0.0 383552.9 196474.3025 0.0 127850.96666666667 167064.30142857143 53572.77 625178.9 0.0 0.0 383552.9 0.0 625178.9 160718.31 0.0 625178.9 160718.31 0.0 19
1215 446.3627310499277 14.890671 106689.2 0.0 0.0 0.0 533446.0 0.0 533446.0 0.0 0.0 0.0 0.0 533446.0 0.0 213378.4 0.0 177815.33333333334 0.0 0.0 106689.2 106689.2 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1066892.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 355630.6666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101 1215.0 Phe-C19:0
1216 439.3203422398847 14.893327 47024.01 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 46165.904 47882.116 0.0 235120.05 0.0 47024.01 47024.01 0.0 230829.52 0.0 0.0 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235120.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230829.52 0.0 0.0 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 76943.17333333332 79803.52666666666 34201.51142857143 0.0 0.0 239410.58 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77
1217 804.5337287692214 14.897178 26397.447 0.0 0.0 0.0 0.0 131987.235 0.0 131987.235 0.0 0.0 0.0 0.0 131987.235 0.0 52794.89399999999 43995.745 0.0 0.0 26397.447 26397.447 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131987.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 131987.235 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 87991.48999999999 37710.63857142856 0.0 0.0 0.0 0.0 263974.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1218 771.5053828290648 14.8977165 54294.12 0.0 0.0 271470.6 0.0 0.0 0.0 0.0 0.0 0.0 271470.6 0.0 0.0 108588.24 0.0 0.0 0.0 271470.6 54294.12 54294.12 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 135735.3 0.0 0.0 77563.02857142857 0.0 542941.2 0.0 0.0 0.0 0.0 542941.2 0.0 0.0 542941.2 0.0 0.0 19
1219 821.5412488477775 14.8977165 20940.411 0.0 0.0 104702.055 0.0 0.0 0.0 0.0 0.0 0.0 104702.055 0.0 0.0 41880.822 0.0 0.0 0.0 104702.055 20940.411 20940.411 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52351.0275 0.0 0.0 29914.87285714285 0.0 209404.11 0.0 0.0 0.0 0.0 209404.11 0.0 0.0 209404.11 0.0 0.0 19
1220 918.6443668891236 14.8977165 23590.128 0.0 0.0 117950.64 0.0 0.0 0.0 0.0 0.0 0.0 117950.64 0.0 0.0 47180.256 0.0 0.0 0.0 117950.64 23590.128 23590.128 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 58975.32 0.0 0.0 33700.182857142856 0.0 235901.28 0.0 0.0 0.0 0.0 235901.28 0.0 0.0 235901.28 0.0 0.0 19
1221 423.251560297926 14.906418 14716.04 0.0 0.0 0.0 73580.2 0.0 73580.2 0.0 0.0 0.0 0.0 73580.2 0.0 29432.08 0.0 24526.733333333334 0.0 0.0 14716.04 14716.04 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 147160.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49053.46666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1222 916.6346706083766 14.916572 217693.127 0.0 0.0 1036680.95 0.0 51784.685 0.0 51784.685 0.0 0.0 1036680.95 0.0 51784.685 435386.254 0.0 17261.561666666665 0.0 1036680.95 217693.127 217693.127 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 2073361.9 0.0 103569.37 0.0 0.0 0.0 0.0 0.0 544232.8175 0.0 0.0 310990.1814285714 34523.12333333333 2073361.9 0.0 0.0 0.0 0.0 2073361.9 103569.37 0.0 2073361.9 103569.37 0.0 19
1223 687.4098180503222 14.919598 55948.998 0.0 0.0 136275.8 0.0 143469.19 0.0 143469.19 0.0 0.0 136275.8 0.0 143469.19 54510.31999999999 57387.676 47823.06333333333 0.0 136275.8 55948.998 55948.998 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 0.0 0.0 286938.38 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 143469.19 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 143469.19 0.0 0.0 272551.6 0.0 0.0 0.0 0.0 0.0 0.0 286938.38 68137.9 0.0 95646.12666666666 79927.14 0.0 272551.6 0.0 0.0 286938.38 0.0 272551.6 0.0 0.0 272551.6 0.0 0.0 19
1224 719.4361148405817 14.919598 137376.26499999998 0.0 0.0 353748.875 0.0 333132.45 0.0 333132.45 0.0 0.0 353748.875 0.0 333132.45 141499.55 133252.98 111044.15 0.0 353748.875 137376.26499999998 137376.26499999998 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 0.0 0.0 666264.9 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 333132.45 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 333132.45 0.0 0.0 707497.75 0.0 0.0 0.0 0.0 0.0 0.0 666264.9 176874.4375 0.0 222088.3 196251.80714285717 0.0 707497.75 0.0 0.0 666264.9 0.0 707497.75 0.0 0.0 707497.75 0.0 0.0 19
1225 412.3785267898828 14.921293 22636.13 0.0 0.0 0.0 113180.65 0.0 113180.65 0.0 0.0 0.0 0.0 113180.65 0.0 45272.26 0.0 37726.88333333333 0.0 0.0 22636.13 22636.13 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226361.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75453.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101
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1230 835.5562769981634 14.931198 102449.018 0.0 0.0 458485.72 0.0 53759.37 0.0 53759.37 0.0 0.0 458485.72 0.0 53759.37 156310.12 48587.916000000005 17919.79 0.0 458485.72 102449.018 102449.018 0.0 0.0 781550.6 0.0 0.0 0.0 0.0 135420.84 0.0 107518.74 0.0 0.0 781550.6 0.0 0.0 0.0 135420.84 53759.37 0.0 0.0 781550.6 0.0 0.0 0.0 135420.84 53759.37 0.0 0.0 781550.6 0.0 0.0 0.0 0.0 135420.84 0.0 107518.74 195387.65 0.0 80979.86 146355.74 0.0 781550.6 0.0 135420.84 107518.74 0.0 781550.6 0.0 0.0 781550.6 0.0 0.0 19
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1251 934.6000440468124 14.981776 94995.356 0.0 0.0 0.0 0.0 474976.78 0.0 474976.78 0.0 0.0 0.0 0.0 474976.78 189990.712 0.0 158325.59333333335 0.0 0.0 94995.356 94995.356 0.0 0.0 0.0 0.0 949953.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 949953.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 949953.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 949953.56 0.0 0.0 0.0 0.0 0.0 237488.39 0.0 0.0 135707.65142857144 316651.1866666667 0.0 0.0 0.0 0.0 0.0 0.0 949953.56 0.0 0.0 949953.56 0.0 19
1252 935.6027213970376 14.992629 225440.628 0.0 0.0 765869.69 0.0 361333.45 0.0 361333.45 0.0 0.0 765869.69 0.0 361333.45 238639.912 212241.344 120444.48333333334 0.0 765869.69 225440.628 225440.628 0.0 0.0 989012.44 0.0 204187.12 0.0 0.0 542726.94 0.0 518479.78 0.0 0.0 989012.44 0.0 204187.12 0.0 542726.94 259239.89 0.0 0.0 989012.44 0.0 204187.12 0.0 542726.94 259239.89 0.0 0.0 989012.44 0.0 204187.12 0.0 0.0 542726.94 0.0 518479.78 298299.89 0.0 353735.5733333333 322058.04 68062.37333333334 989012.44 0.0 542726.94 518479.78 0.0 989012.44 204187.12 0.0 989012.44 204187.12 0.0 19
1253 772.6146839541036 14.993804 96519.276 0.0 482596.38 0.0 0.0 0.0 0.0 0.0 0.0 482596.38 0.0 0.0 0.0 94612.676 98425.876 0.0 482596.38 0.0 96519.276 96519.276 0.0 473063.38 0.0 0.0 0.0 0.0 492129.38 0.0 0.0 0.0 0.0 482596.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 482596.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 473063.38 0.0 0.0 0.0 0.0 492129.38 0.0 0.0 0.0 0.0 157687.7933333333 164043.12666666668 70304.19714285714 0.0 0.0 492129.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1254 728.5879697981043 15.008863 108459.02000000002 0.0 542295.1000000001 0.0 0.0 0.0 0.0 0.0 0.0 542295.1000000001 0.0 0.0 0.0 108294.26 108623.78 0.0 542295.1000000001 0.0 108459.02000000002 108459.02000000002 0.0 541471.3 0.0 0.0 0.0 0.0 543118.9 0.0 0.0 0.0 0.0 542295.1000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 542295.1000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 541471.3 0.0 0.0 0.0 0.0 543118.9 0.0 0.0 0.0 0.0 180490.43333333332 181039.63333333333 77588.41428571429 0.0 0.0 543118.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1255 326.34173696617404 15.013846 17197.610999999997 0.0 0.0 0.0 85988.055 0.0 85988.055 0.0 0.0 0.0 0.0 85988.055 0.0 34395.221999999994 0.0 28662.685 0.0 0.0 17197.610999999997 17197.610999999997 0.0 0.0 0.0 171976.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171976.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171976.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 171976.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57325.37 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78
1256 577.3201829652508 15.013846 26181.003 0.0 0.0 0.0 130905.015 0.0 130905.015 0.0 0.0 0.0 0.0 130905.015 0.0 52362.006 0.0 43635.005 0.0 0.0 26181.003 26181.003 0.0 0.0 0.0 261810.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261810.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261810.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261810.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87270.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 352
1257 936.6069799696542 15.015557 14249.627 0.0 0.0 71248.135 0.0 0.0 0.0 0.0 0.0 0.0 71248.135 0.0 0.0 28499.254 0.0 0.0 0.0 71248.135 14249.627 14249.627 0.0 0.0 142496.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142496.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142496.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142496.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35624.0675 0.0 0.0 20356.61 0.0 142496.27 0.0 0.0 0.0 0.0 142496.27 0.0 0.0 142496.27 0.0 0.0 15
1258 684.5620795502454 15.016916 116218.23399999998 0.0 581091.1699999999 0.0 0.0 0.0 0.0 0.0 0.0 581091.1699999999 0.0 0.0 0.0 115422.888 117013.58 0.0 581091.1699999999 0.0 116218.23399999998 116218.23399999998 0.0 577114.44 0.0 0.0 0.0 0.0 585067.9 0.0 0.0 0.0 0.0 581091.1699999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 581091.1699999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 577114.44 0.0 0.0 0.0 0.0 585067.9 0.0 0.0 0.0 0.0 192371.48 195022.63333333333 83581.12857142858 0.0 0.0 585067.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1260 939.554498531886 15.0291605 22564.084 0.0 0.0 112820.42 0.0 0.0 0.0 0.0 0.0 0.0 112820.42 0.0 0.0 0.0 45128.168 0.0 0.0 112820.42 22564.084 22564.084 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225640.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225640.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225640.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 225640.84 0.0 0.0 0.0 0.0 75213.61333333333 32234.405714285716 0.0 0.0 0.0 225640.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15
1259 338.341779184131 15.030238 150524.85 0.0 0.0 0.0 752624.25 0.0 752624.25 0.0 0.0 0.0 0.0 752624.25 0.0 301049.7 0.0 250874.75 0.0 0.0 150524.85 150524.85 0.0 0.0 0.0 1505248.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1505248.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1505248.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1505248.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 501749.5 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 83 1259.0 Spectral Match to 13-Docosenamide, (Z)- from NIST14
1261 437.2673176197941 15.030238 14595.954999999998 0.0 0.0 0.0 72979.775 0.0 72979.775 0.0 0.0 0.0 0.0 72979.775 0.0 29191.91 0.0 24326.591666666664 0.0 0.0 14595.954999999998 14595.954999999998 0.0 0.0 0.0 145959.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145959.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145959.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 145959.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48653.18333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75
1262 312.32601782638017 15.047925 73341.80299999999 0.0 275558.1 91150.915 0.0 0.0 0.0 0.0 0.0 275558.1 91150.915 0.0 0.0 36460.366 110223.24 0.0 275558.1 91150.915 73341.80299999999 73341.80299999999 0.0 0.0 182301.83 0.0 0.0 0.0 551116.2 0.0 0.0 0.0 0.0 275558.1 182301.83 0.0 0.0 0.0 0.0 0.0 0.0 275558.1 182301.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182301.83 0.0 0.0 0.0 551116.2 0.0 0.0 0.0 45575.4575 0.0 183705.4 104774.00428571428 0.0 182301.83 551116.2 0.0 0.0 0.0 182301.83 0.0 0.0 182301.83 0.0 0.0 30
1263 640.5357140933587 15.048054 114884.506 0.0 574422.53 0.0 0.0 0.0 0.0 0.0 0.0 574422.53 0.0 0.0 0.0 118405.412 111363.6 0.0 574422.53 0.0 114884.506 114884.506 0.0 592027.06 0.0 0.0 0.0 0.0 556818.0 0.0 0.0 0.0 0.0 574422.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 574422.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 592027.06 0.0 0.0 0.0 0.0 556818.0 0.0 0.0 0.0 0.0 197342.35333333336 185606.0 79545.42857142857 0.0 0.0 556818.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1265 946.6087946750954 15.052382 98681.198 0.0 0.0 417019.0500000001 0.0 76386.94 0.0 76386.94 0.0 0.0 417019.0500000001 0.0 76386.94 107100.58 90261.816 25462.31333333333 0.0 417019.0500000001 98681.198 98681.198 0.0 0.0 535502.9 0.0 0.0 0.0 0.0 298535.2 0.0 152773.88 0.0 0.0 535502.9 0.0 0.0 0.0 298535.2 76386.94 0.0 0.0 535502.9 0.0 0.0 0.0 298535.2 76386.94 0.0 0.0 535502.9 0.0 0.0 0.0 0.0 298535.2 0.0 152773.88 133875.725 0.0 150436.36000000002 140973.13999999998 0.0 535502.9 0.0 298535.2 152773.88 0.0 535502.9 0.0 0.0 535502.9 0.0 0.0 19
1266 488.3944410775445 15.0557 32100.730000000003 0.0 160503.65000000002 0.0 0.0 0.0 0.0 0.0 0.0 160503.65000000002 0.0 0.0 0.0 35881.72 28319.74 0.0 160503.65000000002 0.0 32100.730000000003 32100.730000000003 0.0 179408.6 0.0 0.0 0.0 0.0 141598.7 0.0 0.0 0.0 0.0 160503.65000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160503.65000000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 179408.6 0.0 0.0 0.0 0.0 141598.7 0.0 0.0 0.0 0.0 59802.86666666667 47199.56666666667 20228.38571428572 0.0 0.0 141598.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1267 919.5385952235764 15.056339 40115.116 0.0 0.0 114577.525 0.0 85998.055 0.0 85998.055 0.0 0.0 114577.525 0.0 85998.055 45831.01 34399.221999999994 28666.01833333333 0.0 114577.525 40115.116 40115.116 0.0 0.0 229155.05 0.0 0.0 0.0 0.0 0.0 0.0 171996.11 0.0 0.0 229155.05 0.0 0.0 0.0 0.0 85998.055 0.0 0.0 229155.05 0.0 0.0 0.0 0.0 85998.055 0.0 0.0 229155.05 0.0 0.0 0.0 0.0 0.0 0.0 171996.11 57288.7625 0.0 57332.03666666666 57307.30857142857 0.0 229155.05 0.0 0.0 171996.11 0.0 229155.05 0.0 0.0 229155.05 0.0 0.0 15
1268 1865.1877455607648 15.059979 31839.188 0.0 0.0 159195.94 0.0 0.0 0.0 0.0 0.0 0.0 159195.94 0.0 0.0 0.0 63678.376 0.0 0.0 159195.94 31839.188 31839.188 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318391.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318391.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318391.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 318391.88 0.0 0.0 0.0 0.0 106130.62666666666 45484.55428571429 0.0 0.0 0.0 318391.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1269 441.29770319781335 15.062207 20894.566 0.0 0.0 0.0 104472.83 0.0 104472.83 0.0 0.0 0.0 0.0 104472.83 0.0 41789.132 0.0 34824.276666666665 0.0 0.0 20894.566 20894.566 0.0 0.0 0.0 208945.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 208945.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 208945.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 208945.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69648.55333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1270 966.6969290538132 15.062207 16052.44 0.0 0.0 0.0 80262.2 0.0 80262.2 0.0 0.0 0.0 0.0 80262.2 0.0 32104.88 0.0 26754.066666666666 0.0 0.0 16052.44 16052.44 0.0 0.0 0.0 160524.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160524.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160524.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 160524.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53508.13333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134
1271 528.4257373937232 15.06341 46475.078 0.0 232375.39 0.0 0.0 0.0 0.0 0.0 0.0 232375.39 0.0 0.0 0.0 52113.132 40837.024 0.0 232375.39 0.0 46475.078 46475.078 0.0 260565.66 0.0 0.0 0.0 0.0 204185.12 0.0 0.0 0.0 0.0 232375.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 232375.39 0.0 0.0 0.0 0.0 0.0 0.0 0.0 260565.66 0.0 0.0 0.0 0.0 204185.12 0.0 0.0 0.0 0.0 86855.22 68061.70666666667 29169.30285714285 0.0 0.0 204185.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178
1272 596.5094472473011 15.06341 107287.37999999998 0.0 536436.8999999999 0.0 0.0 0.0 0.0 0.0 0.0 536436.8999999999 0.0 0.0 0.0 106210.52 108364.24 0.0 536436.8999999999 0.0 107287.37999999998 107287.37999999998 0.0 531052.6 0.0 0.0 0.0 0.0 541821.2 0.0 0.0 0.0 0.0 536436.8999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 536436.8999999999 0.0 0.0 0.0 0.0 0.0 0.0 0.0 531052.6 0.0 0.0 0.0 0.0 541821.2 0.0 0.0 0.0 0.0 177017.53333333333 180607.06666666665 77403.02857142857 0.0 0.0 541821.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1273 419.3154680806096 15.072951 186604.444 0.0 609693.0 0.0 323329.22 0.0 323329.22 0.0 0.0 609693.0 0.0 323329.22 0.0 258840.048 114368.84 107776.40666666666 609693.0 0.0 186604.444 186604.444 0.0 647541.8 0.0 646658.44 0.0 0.0 571844.2 0.0 0.0 0.0 0.0 609693.0 0.0 646658.44 0.0 0.0 0.0 0.0 0.0 609693.0 0.0 646658.44 0.0 0.0 0.0 0.0 0.0 647541.8 0.0 646658.44 0.0 0.0 571844.2 0.0 0.0 0.0 0.0 431400.08 190614.7333333333 81692.02857142857 0.0 0.0 571844.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 123
1274 552.48310293738 15.086435 93964.268 0.0 469821.34 0.0 0.0 0.0 0.0 0.0 0.0 469821.34 0.0 0.0 0.0 98161.66 89766.876 0.0 469821.34 0.0 93964.268 93964.268 0.0 490808.3 0.0 0.0 0.0 0.0 448834.38 0.0 0.0 0.0 0.0 469821.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 469821.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 490808.3 0.0 0.0 0.0 0.0 448834.38 0.0 0.0 0.0 0.0 163602.76666666666 149611.46 64119.19714285714 0.0 0.0 448834.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1275 930.6511016760207 15.090585 12159.795 0.0 0.0 60798.975 0.0 0.0 0.0 0.0 0.0 0.0 60798.975 0.0 0.0 24319.59 0.0 0.0 0.0 60798.975 12159.795 12159.795 0.0 0.0 121597.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121597.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121597.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 121597.95 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30399.4875 0.0 0.0 17371.135714285712 0.0 121597.95 0.0 0.0 0.0 0.0 121597.95 0.0 0.0 121597.95 0.0 0.0 19
1276 670.46803053607 15.093451 15610.906 0.0 0.0 0.0 78054.53 0.0 78054.53 0.0 0.0 0.0 0.0 78054.53 0.0 31221.812 0.0 26018.176666666663 0.0 0.0 15610.906 15610.906 0.0 0.0 0.0 156109.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156109.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156109.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156109.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52036.35333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18
1277 914.5827884493118 15.098881 125697.43399999998 0.0 0.0 427607.98 0.0 200879.19 0.0 200879.19 0.0 0.0 427607.98 0.0 200879.19 96148.712 155246.15600000002 66959.73 0.0 427607.98 125697.43399999998 125697.43399999998 0.0 0.0 480743.56 0.0 0.0 0.0 0.0 374472.4 0.0 401758.38 0.0 0.0 480743.56 0.0 0.0 0.0 374472.4 200879.19 0.0 0.0 480743.56 0.0 0.0 0.0 374472.4 200879.19 0.0 0.0 480743.56 0.0 0.0 0.0 0.0 374472.4 0.0 401758.38 120185.89 0.0 258743.59333333332 179567.76285714286 0.0 480743.56 0.0 374472.4 401758.38 0.0 480743.56 0.0 0.0 480743.56 0.0 0.0 19
1278 875.5492244331111 15.106021 20259.525 0.0 0.0 101297.625 0.0 0.0 0.0 0.0 0.0 0.0 101297.625 0.0 0.0 40519.05 0.0 0.0 0.0 101297.625 20259.525 20259.525 0.0 0.0 202595.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202595.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202595.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 202595.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50648.8125 0.0 0.0 28942.17857142857 0.0 202595.25 0.0 0.0 0.0 0.0 202595.25 0.0 0.0 202595.25 0.0 0.0 150
1279 902.6191307843236 15.106719 17029.366 0.0 0.0 85146.83 0.0 0.0 0.0 0.0 0.0 0.0 85146.83 0.0 0.0 0.0 34058.732 0.0 0.0 85146.83 17029.366 17029.366 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170293.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170293.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170293.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 170293.66 0.0 0.0 0.0 0.0 56764.55333333334 24327.665714285715 0.0 0.0 0.0 170293.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1280 508.4569087324113 15.111191 79494.32800000001 0.0 397471.64 0.0 0.0 0.0 0.0 0.0 0.0 397471.64 0.0 0.0 0.0 80827.656 78161.0 0.0 397471.64 0.0 79494.32800000001 79494.32800000001 0.0 404138.28 0.0 0.0 0.0 0.0 390805.0 0.0 0.0 0.0 0.0 397471.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 397471.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 404138.28 0.0 0.0 0.0 0.0 390805.0 0.0 0.0 0.0 0.0 134712.76 130268.33333333331 55829.28571428572 0.0 0.0 390805.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1281 284.29474184968694 15.115354 169455.54200000002 0.0 796329.05 0.0 50948.66 0.0 50948.66 0.0 0.0 796329.05 0.0 50948.66 0.0 183038.784 155872.3 16982.88666666667 796329.05 0.0 169455.54200000002 169455.54200000002 0.0 813296.6 0.0 101897.32 0.0 0.0 779361.5 0.0 0.0 0.0 0.0 796329.05 0.0 101897.32 0.0 0.0 0.0 0.0 0.0 796329.05 0.0 101897.32 0.0 0.0 0.0 0.0 0.0 813296.6 0.0 101897.32 0.0 0.0 779361.5 0.0 0.0 0.0 0.0 305064.64 259787.16666666663 111337.35714285714 0.0 0.0 779361.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20
1282 974.6405375948518 15.118607 50840.494000000006 0.0 0.0 169582.14 0.0 84620.33 0.0 84620.33 0.0 0.0 169582.14 0.0 84620.33 67832.856 33848.132 28206.77666666667 0.0 169582.14 50840.494000000006 50840.494000000006 0.0 0.0 339164.28 0.0 0.0 0.0 0.0 0.0 0.0 169240.66 0.0 0.0 339164.28 0.0 0.0 0.0 0.0 84620.33 0.0 0.0 339164.28 0.0 0.0 0.0 0.0 84620.33 0.0 0.0 339164.28 0.0 0.0 0.0 0.0 0.0 0.0 169240.66 84791.07 0.0 56413.55333333334 72629.27714285716 0.0 339164.28 0.0 0.0 169240.66 0.0 339164.28 0.0 0.0 339164.28 0.0 0.0 19
1283 979.5961980224836 15.121612 22366.288 0.0 0.0 111831.44 0.0 0.0 0.0 0.0 0.0 0.0 111831.44 0.0 0.0 44732.576 0.0 0.0 0.0 111831.44 22366.288 22366.288 0.0 0.0 223662.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223662.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223662.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223662.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55915.72 0.0 0.0 31951.84 0.0 223662.88 0.0 0.0 0.0 0.0 223662.88 0.0 0.0 223662.88 0.0 0.0 -1
1284 870.5933439785457 15.137628 82625.546 0.0 0.0 413127.73 0.0 0.0 0.0 0.0 0.0 0.0 413127.73 0.0 0.0 77265.58 87985.512 0.0 0.0 413127.73 82625.546 82625.546 0.0 0.0 386327.9 0.0 0.0 0.0 0.0 439927.56 0.0 0.0 0.0 0.0 386327.9 0.0 0.0 0.0 439927.56 0.0 0.0 0.0 386327.9 0.0 0.0 0.0 439927.56 0.0 0.0 0.0 386327.9 0.0 0.0 0.0 0.0 439927.56 0.0 0.0 96581.975 0.0 146642.52 118036.49428571427 0.0 386327.9 0.0 439927.56 0.0 0.0 386327.9 0.0 0.0 386327.9 0.0 0.0 19
1285 980.7129413435272 15.141011 17886.917 0.0 0.0 0.0 89434.585 0.0 89434.585 0.0 0.0 0.0 0.0 89434.585 0.0 35773.834 0.0 29811.528333333332 0.0 0.0 17886.917 17886.917 0.0 0.0 0.0 178869.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178869.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178869.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178869.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59623.05666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134
1286 464.43072606166055 15.141749 59927.941000000006 0.0 299639.705 0.0 0.0 0.0 0.0 0.0 0.0 299639.705 0.0 0.0 0.0 61023.076 58832.806 0.0 299639.705 0.0 59927.941000000006 59927.941000000006 0.0 305115.38 0.0 0.0 0.0 0.0 294164.03 0.0 0.0 0.0 0.0 299639.705 0.0 0.0 0.0 0.0 0.0 0.0 0.0 299639.705 0.0 0.0 0.0 0.0 0.0 0.0 0.0 305115.38 0.0 0.0 0.0 0.0 294164.03 0.0 0.0 0.0 0.0 101705.12666666666 98054.67666666668 42023.43285714286 0.0 0.0 294164.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1287 714.5511450032427 15.157799 183730.709 73752.135 530835.6 0.0 144101.45 169964.36 144101.45 169964.36 73752.135 530835.6 0.0 144101.45 169964.36 0.0 367461.418 129272.64833333332 530835.6 0.0 183730.709 183730.709 0.0 0.0 0.0 0.0 0.0 147504.27 1061671.2 0.0 288202.9 339928.72 0.0 530835.6 0.0 0.0 0.0 147504.27 0.0 314065.81 0.0 530835.6 0.0 0.0 0.0 147504.27 0.0 314065.81 0.0 0.0 0.0 0.0 0.0 147504.27 1061671.2 0.0 288202.9 339928.72 36876.0675 96067.63333333336 467199.9733333333 221300.59857142856 49168.09 0.0 1061671.2 0.0 339928.72 73752.135 0.0 0.0 0.0 0.0 0.0 147504.27 -1 1287.0 ReSpect:PS112703 glucocerebrosides|Glucosyl (E,E)N(2-hydroxyhexadecanoyl)sphing-4,8-dienine
1288 648.5195164911502 15.160964 20440.927 0.0 102204.635 0.0 0.0 0.0 0.0 0.0 0.0 102204.635 0.0 0.0 0.0 0.0 40881.854 0.0 102204.635 0.0 20440.927 20440.927 0.0 0.0 0.0 0.0 0.0 0.0 204409.27 0.0 0.0 0.0 0.0 102204.635 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102204.635 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204409.27 0.0 0.0 0.0 0.0 0.0 68136.42333333332 29201.324285714283 0.0 0.0 204409.27 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36
1289 420.4046144602441 15.1731205 37216.928 0.0 186084.64 0.0 0.0 0.0 0.0 0.0 0.0 186084.64 0.0 0.0 0.0 38143.734 36290.122 0.0 186084.64 0.0 37216.928 37216.928 0.0 190718.67 0.0 0.0 0.0 0.0 181450.61 0.0 0.0 0.0 0.0 186084.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 186084.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 190718.67 0.0 0.0 0.0 0.0 181450.61 0.0 0.0 0.0 0.0 63572.89000000001 60483.53666666666 25921.515714285717 0.0 0.0 181450.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23
1290 340.3572502267225 15.1894 36467.4 0.0 182337.0 0.0 0.0 0.0 0.0 0.0 0.0 182337.0 0.0 0.0 0.0 34761.938 38172.862 0.0 182337.0 0.0 36467.4 36467.4 0.0 173809.69 0.0 0.0 0.0 0.0 190864.31 0.0 0.0 0.0 0.0 182337.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182337.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173809.69 0.0 0.0 0.0 0.0 190864.31 0.0 0.0 0.0 0.0 57936.56333333333 63621.43666666667 27266.33 0.0 0.0 190864.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1293 655.4904754829932 15.2282295 19973.628 0.0 0.0 0.0 0.0 99868.14 0.0 99868.14 0.0 0.0 0.0 0.0 99868.14 0.0 39947.256 33289.38 0.0 0.0 19973.628 19973.628 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199736.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99868.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99868.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199736.28 0.0 0.0 66578.76 28533.754285714287 0.0 0.0 0.0 0.0 199736.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155
1294 556.4577288747666 15.234653 18769.212 0.0 93846.06 0.0 0.0 0.0 0.0 0.0 0.0 93846.06 0.0 0.0 0.0 37538.424 0.0 0.0 93846.06 0.0 18769.212 18769.212 0.0 187692.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93846.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93846.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 187692.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62564.04 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178
1295 393.33908595078776 15.250023 236076.33 0.0 0.0 675739.7 504641.95 0.0 504641.95 0.0 0.0 0.0 675739.7 504641.95 0.0 472152.66 0.0 168213.98333333334 0.0 675739.7 236076.33 236076.33 0.0 0.0 1351479.4 1009283.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1351479.4 1009283.9 0.0 0.0 0.0 0.0 0.0 0.0 1351479.4 1009283.9 0.0 0.0 0.0 0.0 0.0 0.0 1351479.4 1009283.9 0.0 0.0 0.0 0.0 0.0 0.0 337869.85 336427.9666666667 0.0 193068.4857142857 0.0 1351479.4 0.0 0.0 0.0 0.0 1351479.4 0.0 0.0 1351479.4 0.0 0.0 -1 1295.0 Lithocholyl_Pyrrolidine_NCE45
1296 395.3498950532471 15.250707 594762.73 71905.7 0.0 566131.95 2335776.0 0.0 2335776.0 0.0 71905.7 0.0 566131.95 2335776.0 0.0 1160763.1800000002 28762.28 802560.5666666668 0.0 566131.95 594762.73 594762.73 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 1132263.9 4671552.0 0.0 143811.4 0.0 0.0 0.0 0.0 319018.82499999995 1557184.0 0.0 182296.4714285714 47937.13333333333 1132263.9 0.0 0.0 0.0 71905.7 1132263.9 0.0 0.0 1132263.9 0.0 143811.4 57
1297 764.6553543036225 15.253018 15156.27 0.0 0.0 0.0 75781.35 0.0 75781.35 0.0 0.0 0.0 0.0 75781.35 0.0 30312.54 0.0 25260.45 0.0 0.0 15156.27 15156.27 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151562.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50520.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57
1300 394.3465169152109 15.25949 2560302.48 0.0 2844184.3 2095032.6 7862295.5 0.0 7862295.5 0.0 0.0 2844184.3 2095032.6 7862295.5 0.0 4550426.0 570178.96 2620765.1666666665 2844184.3 2095032.6 2560302.48 2560302.48 0.0 2837473.8 4190065.2 15724591.0 0.0 0.0 2850894.8 0.0 0.0 0.0 0.0 2844184.3 4190065.2 15724591.0 0.0 0.0 0.0 0.0 0.0 2844184.3 4190065.2 15724591.0 0.0 0.0 0.0 0.0 0.0 2837473.8 4190065.2 15724591.0 0.0 0.0 2850894.8 0.0 0.0 0.0 1047516.3 6187354.933333334 950298.2666666666 1005851.4285714284 0.0 4190065.2 2850894.8 0.0 0.0 0.0 4190065.2 0.0 0.0 4190065.2 0.0 0.0 57 1300.0 Lithocholyl_Pyrrolidine_NCE45
1298 567.3611943215317 15.260601 58169.380000000005 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 56347.46 59991.3 0.0 290846.9 0.0 58169.380000000005 58169.380000000005 0.0 281737.3 0.0 0.0 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 290846.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 281737.3 0.0 0.0 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 93912.43333333332 99985.5 42850.92857142857 0.0 0.0 299956.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
1299 584.3875548738233 15.263003 161682.134 55598.09 752812.5800000001 0.0 0.0 0.0 0.0 0.0 55598.09 752812.5800000001 0.0 0.0 0.0 155985.91999999998 167378.348 18532.696666666667 752812.5800000001 0.0 161682.134 161682.134 0.0 779929.6 0.0 0.0 0.0 111196.18 725695.56 0.0 0.0 0.0 0.0 752812.5800000001 0.0 0.0 0.0 111196.18 0.0 0.0 0.0 752812.5800000001 0.0 0.0 0.0 111196.18 0.0 0.0 0.0 779929.6 0.0 0.0 0.0 111196.18 725695.56 0.0 0.0 0.0 27799.045 259976.53333333333 241898.52 119555.96285714286 37065.39333333333 0.0 725695.56 0.0 0.0 55598.09 0.0 0.0 0.0 0.0 0.0 111196.18 28
1301 585.3908095358511 15.268712 48861.126 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 51159.346000000005 46562.906 0.0 244305.63 0.0 48861.126 48861.126 0.0 255796.73 0.0 0.0 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 0.0 244305.63 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255796.73 0.0 0.0 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 85265.57666666668 77604.84333333334 33259.21857142857 0.0 0.0 232814.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1304 1008.743283958825 15.284506 11906.024 0.0 0.0 0.0 59530.12 0.0 59530.12 0.0 0.0 0.0 0.0 59530.12 0.0 23812.048000000003 0.0 19843.373333333333 0.0 0.0 11906.024 11906.024 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 119060.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39686.746666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134
1306 780.5540932496481 15.294288 30319.588 0.0 0.0 0.0 151597.94 0.0 151597.94 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 60639.176 50532.64666666667 0.0 0.0 30319.588 30319.588 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 303195.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151597.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 303195.88 0.0 0.0 101065.29333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1306.0 PC(16:1/20:4); [M+H]+ C44H79N1O8P1
1308 469.3290268974341 15.295619 16868.789 0.0 0.0 0.0 0.0 84343.945 0.0 84343.945 0.0 0.0 0.0 0.0 84343.945 33737.578 0.0 28114.64833333333 0.0 0.0 16868.789 16868.789 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 0.0 0.0 0.0 42171.9725 0.0 0.0 24098.27 56229.29666666667 0.0 0.0 0.0 0.0 0.0 0.0 168687.89 0.0 0.0 168687.89 0.0 -1
1309 447.3467049654528 15.298823 174710.928 0.0 221922.04 0.0 278525.85 373106.75 278525.85 373106.75 0.0 221922.04 0.0 278525.85 373106.75 306997.38 42424.476 217210.86666666667 221922.04 0.0 174710.928 174710.928 0.0 231721.7 0.0 557051.7 746213.5 0.0 212122.38 0.0 0.0 0.0 0.0 221922.04 0.0 557051.7 746213.5 0.0 0.0 0.0 0.0 221922.04 0.0 557051.7 746213.5 0.0 0.0 0.0 0.0 231721.7 0.0 557051.7 746213.5 0.0 212122.38 0.0 0.0 0.0 186553.375 262924.4666666666 70707.46 136905.1257142857 248737.8333333333 0.0 212122.38 0.0 0.0 0.0 0.0 746213.5 0.0 0.0 746213.5 0.0 123 1309.0 Spectral Match to Diisodecyl phthalate from NIST14
1307 558.3431475306114 15.299296 472706.09 277523.6 2086006.85 0.0 0.0 0.0 0.0 0.0 277523.6 2086006.85 0.0 0.0 0.0 443662.1 501750.08 92507.86666666664 2086006.85 0.0 472706.09 472706.09 0.0 2218310.5 0.0 0.0 0.0 555047.2 1953703.2 0.0 0.0 0.0 0.0 2086006.85 0.0 0.0 0.0 555047.2 0.0 0.0 0.0 2086006.85 0.0 0.0 0.0 555047.2 0.0 0.0 0.0 2218310.5 0.0 0.0 0.0 555047.2 1953703.2 0.0 0.0 0.0 138761.8 739436.8333333334 651234.4 358392.9142857143 185015.7333333333 0.0 1953703.2 0.0 0.0 277523.6 0.0 0.0 0.0 0.0 0.0 555047.2 110
1310 698.4988739912726 15.31536 16203.745 0.0 0.0 0.0 81018.725 0.0 81018.725 0.0 0.0 0.0 0.0 81018.725 0.0 32407.49 0.0 27006.24166666667 0.0 0.0 16203.745 16203.745 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162037.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54012.48333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18
1311 468.2928979027079 15.323072 261955.2 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 260696.68 263213.72000000003 0.0 1309776.0 0.0 261955.2 261955.2 0.0 1303483.4 0.0 0.0 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1309776.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1303483.4 0.0 0.0 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 434494.4666666666 438689.5333333334 188009.8 0.0 0.0 1316068.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1313 960.623891374903 15.328747 76621.65 0.0 0.0 383108.25 0.0 0.0 0.0 0.0 0.0 0.0 383108.25 0.0 0.0 0.0 153243.3 0.0 0.0 383108.25 76621.65 76621.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 255405.5 109459.5 0.0 0.0 0.0 766216.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1314 556.3275068109936 15.328985 15430.366 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 30860.732 0.0 0.0 77151.83 0.0 15430.366 15430.366 0.0 154303.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 77151.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 154303.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51434.55333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263
1315 584.3417438587107 15.330319 139034.57 77964.695 617208.155 0.0 0.0 0.0 0.0 0.0 77964.695 617208.155 0.0 0.0 0.0 132742.312 145326.828 25988.23166666667 617208.155 0.0 139034.57 139034.57 0.0 663711.56 0.0 0.0 0.0 155929.39 570704.75 0.0 0.0 0.0 0.0 617208.155 0.0 0.0 0.0 155929.39 0.0 0.0 0.0 617208.155 0.0 0.0 0.0 155929.39 0.0 0.0 0.0 663711.56 0.0 0.0 0.0 155929.39 570704.75 0.0 0.0 0.0 38982.3475 221237.18666666668 190234.91666666663 103804.87714285716 51976.46333333334 0.0 570704.75 0.0 0.0 77964.695 0.0 0.0 0.0 0.0 0.0 155929.39 28
1312 583.3384094338579 15.33072 332351.67000000004 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 352487.58 312215.76 0.0 1661758.35 0.0 332351.67000000004 332351.67000000004 0.0 1762437.9 0.0 0.0 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1661758.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1762437.9 0.0 0.0 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 587479.2999999999 520359.6 223011.25714285715 0.0 0.0 1561078.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1316 585.3384318407673 15.33072 27330.653500000004 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 28914.768 25746.539 0.0 136653.26750000002 0.0 27330.653500000004 27330.653500000004 0.0 144573.84 0.0 0.0 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136653.26750000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 144573.84 0.0 0.0 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 48191.28 42910.89833333334 18390.385 0.0 0.0 128732.695 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1317 1022.7600177434643 15.364848 22210.117 0.0 0.0 0.0 111050.585 0.0 111050.585 0.0 0.0 0.0 0.0 111050.585 0.0 44420.234 0.0 37016.86166666667 0.0 0.0 22210.117 22210.117 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222101.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 74033.72333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134
1318 916.6342276739138 15.376902 91421.01 0.0 0.0 457105.05 0.0 0.0 0.0 0.0 0.0 0.0 457105.05 0.0 0.0 0.0 182842.02 0.0 0.0 457105.05 91421.01 91421.01 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 304736.7 130601.44285714286 0.0 0.0 0.0 914210.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19
1320 536.1652038252511 15.42483 201565.854 0.0 484561.91 0.0 259754.33 263513.03 259754.33 263513.03 0.0 484561.91 0.0 259754.33 263513.03 146780.492 256351.216 174422.45333333334 484561.91 0.0 201565.854 201565.854 0.0 572289.1 0.0 161613.36 0.0 0.0 396834.72 0.0 357895.3 527026.06 0.0 484561.91 0.0 161613.36 0.0 0.0 0.0 442460.68000000005 0.0 484561.91 0.0 161613.36 0.0 0.0 0.0 442460.68000000005 0.0 572289.1 0.0 161613.36 0.0 0.0 396834.72 0.0 357895.3 527026.06 0.0 363932.5866666666 307953.5933333333 131980.11142857143 0.0 0.0 396834.72 0.0 527026.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255 1320.0 Contaminants septum vial Thermo C4000-53 and C4000-54 serie
1323 652.5506222144996 15.462685 66207.376 0.0 184751.06 70446.99 0.0 75838.83 0.0 75838.83 0.0 184751.06 70446.99 0.0 75838.83 0.0 132414.752 25279.61 184751.06 70446.99 66207.376 66207.376 0.0 0.0 0.0 0.0 0.0 0.0 369502.12 140893.98 0.0 151677.66 0.0 184751.06 0.0 0.0 0.0 0.0 140893.98 75838.83 0.0 184751.06 0.0 0.0 0.0 0.0 140893.98 75838.83 0.0 0.0 0.0 0.0 0.0 0.0 369502.12 140893.98 0.0 151677.66 0.0 0.0 220691.25333333333 94581.96571428572 0.0 0.0 369502.12 140893.98 151677.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36
1324 653.5533570263718 15.475283 10772.131 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 21544.262 0.0 53860.655 0.0 10772.131 10772.131 0.0 0.0 0.0 0.0 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53860.655 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 0.0 35907.10333333333 15388.75857142857 0.0 0.0 107721.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1325 782.569378970734 15.483943 277616.48 0.0 0.0 0.0 1388082.4 0.0 1388082.4 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 555232.96 462694.1333333333 0.0 0.0 277616.48 277616.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2776164.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1388082.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2776164.8 0.0 0.0 925388.2666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1325.0 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14
1326 673.5037456532458 15.489406 13972.603 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 27945.206 0.0 0.0 69863.015 0.0 13972.603 13972.603 0.0 139726.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69863.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139726.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46575.34333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41
1327 690.5303874911779 15.490156 50888.496 0.0 254442.48 0.0 0.0 0.0 0.0 0.0 0.0 254442.48 0.0 0.0 0.0 58343.788 43433.204 0.0 254442.48 0.0 50888.496 50888.496 0.0 291718.94 0.0 0.0 0.0 0.0 217166.02 0.0 0.0 0.0 0.0 254442.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 254442.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 291718.94 0.0 0.0 0.0 0.0 217166.02 0.0 0.0 0.0 0.0 97239.64666666668 72388.67333333332 31023.717142857146 0.0 0.0 217166.02 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41
1330 756.5540439601211 15.532331 11336.9016 0.0 0.0 0.0 56684.508 0.0 56684.508 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 22673.8032 18894.836 0.0 0.0 11336.9016 11336.9016 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113369.016 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56684.508 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113369.016 0.0 0.0 37789.672 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39
1333 1028.709100876977 15.606847 12286.0484 0.0 0.0 0.0 61430.242 0.0 61430.242 0.0 0.0 0.0 0.0 61430.242 0.0 24572.0968 0.0 20476.747333333333 0.0 0.0 12286.0484 12286.0484 0.0 0.0 0.0 122860.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122860.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122860.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122860.484 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40953.494666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1334 720.5106623839672 15.607888 9559.013 47795.065 0.0 0.0 0.0 0.0 0.0 0.0 47795.065 0.0 0.0 0.0 0.0 19118.026 0.0 15931.688333333334 0.0 0.0 9559.013 9559.013 95590.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95590.13 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23897.5325 0.0 0.0 13655.732857142855 31863.376666666667 0.0 0.0 0.0 0.0 47795.065 0.0 0.0 95590.13 0.0 0.0 0.0 111
1335 1343.9291555215011 15.607888 37359.434 186797.17 0.0 0.0 0.0 0.0 0.0 0.0 186797.17 0.0 0.0 0.0 0.0 74718.868 0.0 62265.723333333335 0.0 0.0 37359.434 37359.434 373594.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373594.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373594.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 373594.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 93398.585 0.0 0.0 53370.62 124531.44666666668 0.0 0.0 0.0 0.0 186797.17 0.0 0.0 373594.34 0.0 0.0 0.0 111
1336 623.4237297604358 15.618674 56923.84099999999 0.0 284619.205 0.0 0.0 0.0 0.0 0.0 0.0 284619.205 0.0 0.0 0.0 61220.35 52627.332 0.0 284619.205 0.0 56923.84099999999 56923.84099999999 0.0 306101.75 0.0 0.0 0.0 0.0 263136.66 0.0 0.0 0.0 0.0 284619.205 0.0 0.0 0.0 0.0 0.0 0.0 0.0 284619.205 0.0 0.0 0.0 0.0 0.0 0.0 0.0 306101.75 0.0 0.0 0.0 0.0 263136.66 0.0 0.0 0.0 0.0 102033.91666666669 87712.21999999999 37590.95142857143 0.0 0.0 263136.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
1337 640.4502443702004 15.618674 112629.74 0.0 563148.7 0.0 0.0 0.0 0.0 0.0 0.0 563148.7 0.0 0.0 0.0 113727.54 111531.94 0.0 563148.7 0.0 112629.74 112629.74 0.0 568637.7 0.0 0.0 0.0 0.0 557659.7 0.0 0.0 0.0 0.0 563148.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 563148.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 568637.7 0.0 0.0 0.0 0.0 557659.7 0.0 0.0 0.0 0.0 189545.9 185886.56666666665 79665.67142857143 0.0 0.0 557659.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1338 641.4535265931288 15.618674 44351.902 0.0 221759.51 0.0 0.0 0.0 0.0 0.0 0.0 221759.51 0.0 0.0 0.0 44375.176 44328.628 0.0 221759.51 0.0 44351.902 44351.902 0.0 221875.88 0.0 0.0 0.0 0.0 221643.14 0.0 0.0 0.0 0.0 221759.51 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221759.51 0.0 0.0 0.0 0.0 0.0 0.0 0.0 221875.88 0.0 0.0 0.0 0.0 221643.14 0.0 0.0 0.0 0.0 73958.62666666666 73881.04666666668 31663.30571428572 0.0 0.0 221643.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1339 610.183871801807 15.62202 47303.786 0.0 146173.07 0.0 0.0 90345.86 0.0 90345.86 0.0 146173.07 0.0 0.0 90345.86 30903.212 63704.36 30115.286666666667 146173.07 0.0 47303.786 47303.786 0.0 154516.06 0.0 0.0 0.0 0.0 137830.08 0.0 0.0 180691.72 0.0 146173.07 0.0 0.0 0.0 0.0 0.0 90345.86 0.0 146173.07 0.0 0.0 0.0 0.0 0.0 90345.86 0.0 154516.06 0.0 0.0 0.0 0.0 137830.08 0.0 0.0 180691.72 0.0 51505.35333333333 106173.93333333332 45503.11428571429 0.0 0.0 137830.08 0.0 180691.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 255 1339.0 Baccatin III
1340 706.4957007006004 15.635149 219400.881 188990.69 160686.65 63591.6 472557.455 211178.01 472557.455 211178.01 188990.69 160686.65 63591.6 472557.455 211178.01 277567.03 161234.732 290908.7183333333 160686.65 63591.6 219400.881 219400.881 377981.38 154003.27 127183.2 624492.44 104174.86 0.0 167370.03 0.0 320622.47 318181.16 377981.38 160686.65 127183.2 624492.44 104174.86 0.0 0.0 319401.81499999994 377981.38 160686.65 127183.2 624492.44 104174.86 0.0 0.0 319401.81499999994 377981.38 154003.27 127183.2 624492.44 104174.86 0.0 167370.03 0.0 320622.47 318181.16 152334.86000000002 366372.7266666666 161850.39666666664 156412.94714285713 160718.74666666667 127183.2 167370.03 0.0 318181.16 188990.69 127183.2 104174.86 377981.38 127183.2 104174.86 0.0 111
1341 722.5272239325884 15.638445 40207.931 46153.765 0.0 0.0 154885.89 0.0 154885.89 0.0 46153.765 0.0 0.0 154885.89 0.0 80415.86200000001 0.0 67013.21833333334 0.0 0.0 40207.931 40207.931 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 92307.53 0.0 0.0 309771.78 0.0 0.0 0.0 0.0 0.0 0.0 23076.8825 103257.26 0.0 13186.79 30769.176666666663 0.0 0.0 0.0 0.0 46153.765 0.0 0.0 92307.53 0.0 0.0 0.0 111
1342 685.4354707883539 15.652225 349015.928 257322.08 485893.405 202724.015 571458.6 227681.54 571458.6 227681.54 257322.08 485893.405 202724.015 571458.6 227681.54 578609.63 119422.226 352154.0733333333 485893.405 202724.015 349015.928 349015.928 514644.16 543297.56 405448.03 1142917.2 286741.2 0.0 428489.25 0.0 0.0 168621.88 514644.16 485893.405 405448.03 1142917.2 286741.2 0.0 0.0 84310.94 514644.16 485893.405 405448.03 1142917.2 286741.2 0.0 0.0 84310.94 514644.16 543297.56 405448.03 1142917.2 286741.2 0.0 428489.25 0.0 0.0 168621.88 301708.3475 562071.5866666667 199037.0433333333 257706.36 267128.4533333333 405448.03 428489.25 0.0 168621.88 257322.08 405448.03 286741.2 514644.16 405448.03 286741.2 0.0 -1
1344 629.4563480013868 15.653858 11028.654 0.0 0.0 0.0 55143.27 0.0 55143.27 0.0 0.0 0.0 0.0 55143.27 0.0 22057.308 0.0 18381.09 0.0 0.0 11028.654 11028.654 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110286.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36762.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1345 1030.643714413895 15.653858 45592.662 0.0 0.0 0.0 227963.31 0.0 227963.31 0.0 0.0 0.0 0.0 227963.31 0.0 91185.324 0.0 75987.77 0.0 0.0 45592.662 45592.662 0.0 0.0 0.0 455926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 455926.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151975.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1347 708.511644727409 15.656906 46938.408 0.0 0.0 165453.235 0.0 69238.805 0.0 69238.805 0.0 0.0 165453.235 0.0 69238.805 93876.816 0.0 23079.601666666666 0.0 165453.235 46938.408 46938.408 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 330906.47 0.0 138477.61 0.0 0.0 0.0 0.0 0.0 117346.02 0.0 0.0 67054.86857142857 46159.20333333333 330906.47 0.0 0.0 0.0 0.0 330906.47 138477.61 0.0 330906.47 138477.61 0.0 111
1349 765.5780829375414 15.664874 11896.629 0.0 0.0 0.0 0.0 59483.145 0.0 59483.145 0.0 0.0 0.0 0.0 59483.145 23793.258 0.0 19827.715 0.0 0.0 11896.629 11896.629 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 0.0 0.0 0.0 29741.5725 0.0 0.0 16995.184285714284 39655.43 0.0 0.0 0.0 0.0 0.0 0.0 118966.29 0.0 0.0 118966.29 0.0 -1
1350 615.4087935270576 15.666256 23748.166 118740.83 0.0 0.0 0.0 0.0 0.0 0.0 118740.83 0.0 0.0 0.0 0.0 0.0 47496.332 39580.276666666665 0.0 0.0 23748.166 23748.166 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237481.66 0.0 0.0 0.0 0.0 59370.415 0.0 0.0 33925.95142857143 79160.55333333333 0.0 0.0 0.0 0.0 118740.83 0.0 0.0 0.0 0.0 0.0 237481.66 110
1351 736.5423554982414 15.666256 14053.575 70267.875 0.0 0.0 0.0 0.0 0.0 0.0 70267.875 0.0 0.0 0.0 0.0 0.0 28107.15 23422.625 0.0 0.0 14053.575 14053.575 0.0 0.0 0.0 0.0 0.0 140535.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140535.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140535.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 140535.75 0.0 0.0 0.0 0.0 35133.9375 0.0 0.0 20076.535714285717 46845.25 0.0 0.0 0.0 0.0 70267.875 0.0 0.0 0.0 0.0 0.0 140535.75 -1
1352 1342.926317141741 15.66744 158912.291 205755.7 300383.655 0.0 288422.1 0.0 288422.1 0.0 205755.7 300383.655 0.0 288422.1 0.0 269382.06 48442.522 164725.93333333332 300383.655 0.0 158912.291 158912.291 411511.4 358554.7 0.0 576844.2 0.0 0.0 242212.61 0.0 0.0 0.0 411511.4 300383.655 0.0 576844.2 0.0 0.0 0.0 0.0 411511.4 300383.655 0.0 576844.2 0.0 0.0 0.0 0.0 411511.4 358554.7 0.0 576844.2 0.0 0.0 242212.61 0.0 0.0 0.0 102877.85 311799.6333333333 80737.53666666667 93389.14428571428 137170.46666666667 0.0 242212.61 0.0 0.0 205755.7 0.0 0.0 411511.4 0.0 0.0 0.0 111
1355 784.5850858543504 15.673011 101441.57 0.0 0.0 0.0 507207.85 0.0 507207.85 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 202883.14 169069.28333333333 0.0 0.0 101441.57 101441.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1014415.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 507207.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1014415.7 0.0 0.0 338138.56666666665 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1355.0 Spectral Match to Arachidonoylthio-PC from NIST14
1356 785.5885988926727 15.673011 44429.93 0.0 0.0 0.0 222149.65 0.0 222149.65 0.0 0.0 0.0 0.0 222149.65 0.0 0.0 88859.86 74049.88333333333 0.0 0.0 44429.93 44429.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444299.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222149.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222149.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444299.3 0.0 0.0 148099.76666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1356.0 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
1343 663.453429485364 15.675212 1009130.12 0.0 2030782.1 0.0 3014868.5 0.0 3014868.5 0.0 0.0 2030782.1 0.0 3014868.5 0.0 2018260.24 0.0 1004956.1666666666 2030782.1 0.0 1009130.12 1009130.12 0.0 4061564.2 0.0 6029737.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2030782.1 0.0 6029737.0 0.0 0.0 0.0 0.0 0.0 2030782.1 0.0 6029737.0 0.0 0.0 0.0 0.0 0.0 4061564.2 0.0 6029737.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3363767.0666666664 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111 1343.0 L-phenylalanine_dodecanoic acid
1354 614.4056606214435 15.675967 477532.834 301885.97 2085778.2 0.0 0.0 0.0 0.0 0.0 301885.97 2085778.2 0.0 0.0 0.0 438232.9 516832.768 100628.65666666666 2085778.2 0.0 477532.834 477532.834 0.0 2191164.5 0.0 0.0 0.0 603771.94 1980391.9 0.0 0.0 0.0 0.0 2085778.2 0.0 0.0 0.0 603771.94 0.0 0.0 0.0 2085778.2 0.0 0.0 0.0 603771.94 0.0 0.0 0.0 2191164.5 0.0 0.0 0.0 603771.94 1980391.9 0.0 0.0 0.0 150942.985 730388.1666666666 660130.6333333333 369166.2628571429 201257.31333333327 0.0 1980391.9 0.0 0.0 301885.97 0.0 0.0 0.0 0.0 0.0 603771.94 110
1357 640.4040603767874 15.675967 137917.918 85428.665 604160.925 0.0 0.0 0.0 0.0 0.0 85428.665 604160.925 0.0 0.0 0.0 128475.45 147360.386 28476.221666666665 604160.925 0.0 137917.918 137917.918 0.0 642377.25 0.0 0.0 0.0 170857.33 565944.6 0.0 0.0 0.0 0.0 604160.925 0.0 0.0 0.0 170857.33 0.0 0.0 0.0 604160.925 0.0 0.0 0.0 170857.33 0.0 0.0 0.0 642377.25 0.0 0.0 0.0 170857.33 565944.6 0.0 0.0 0.0 42714.3325 214125.75 188648.2 105257.41857142856 56952.44333333333 0.0 565944.6 0.0 0.0 85428.665 0.0 0.0 0.0 0.0 0.0 170857.33 28
1358 616.4068528513162 15.680173 19177.267 0.0 95886.335 0.0 0.0 0.0 0.0 0.0 0.0 95886.335 0.0 0.0 0.0 0.0 38354.534 0.0 95886.335 0.0 19177.267 19177.267 0.0 0.0 0.0 0.0 0.0 0.0 191772.67 0.0 0.0 0.0 0.0 95886.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95886.335 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 191772.67 0.0 0.0 0.0 0.0 0.0 63924.223333333335 27396.095714285715 0.0 0.0 191772.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110
1360 612.3900467867445 15.680824 28743.098600000005 0.0 143715.49300000002 0.0 0.0 0.0 0.0 0.0 0.0 143715.49300000002 0.0 0.0 0.0 34849.044 22637.1532 0.0 143715.49300000002 0.0 28743.098600000005 28743.098600000005 0.0 174245.22 0.0 0.0 0.0 0.0 113185.766 0.0 0.0 0.0 0.0 143715.49300000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 143715.49300000002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 174245.22 0.0 0.0 0.0 0.0 113185.766 0.0 0.0 0.0 0.0 58081.74 37728.58866666667 16169.395142857144 0.0 0.0 113185.766 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 263
1353 639.4008689127982 15.680824 293155.11 0.0 1465775.5499999998 0.0 0.0 0.0 0.0 0.0 0.0 1465775.5499999998 0.0 0.0 0.0 309136.58 277173.64 0.0 1465775.5499999998 0.0 293155.11 293155.11 0.0 1545682.9 0.0 0.0 0.0 0.0 1385868.2 0.0 0.0 0.0 0.0 1465775.5499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1465775.5499999998 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1545682.9 0.0 0.0 0.0 0.0 1385868.2 0.0 0.0 0.0 0.0 515227.6333333333 461956.06666666665 197981.17142857143 0.0 0.0 1385868.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1361 641.4018241503311 15.680824 31767.188 0.0 158835.94 0.0 0.0 0.0 0.0 0.0 0.0 158835.94 0.0 0.0 0.0 33815.88 29718.496000000003 0.0 158835.94 0.0 31767.188 31767.188 0.0 169079.4 0.0 0.0 0.0 0.0 148592.48 0.0 0.0 0.0 0.0 158835.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 158835.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169079.4 0.0 0.0 0.0 0.0 148592.48 0.0 0.0 0.0 0.0 56359.8 49530.82666666667 21227.497142857144 0.0 0.0 148592.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28
1362 682.4866662019399 15.681475 16607.722 0.0 83038.61 0.0 0.0 0.0 0.0 0.0 0.0 83038.61 0.0 0.0 0.0 33215.444 0.0 0.0 83038.61 0.0 16607.722 16607.722 0.0 166077.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83038.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83038.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 166077.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55359.07333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111
1363 788.5877226363807 15.681475 12817.794 0.0 64088.97 0.0 0.0 0.0 0.0 0.0 0.0 64088.97 0.0 0.0 0.0 25635.588 0.0 0.0 64088.97 0.0 12817.794 12817.794 0.0 128177.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64088.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64088.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128177.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42725.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1346 680.4800837333878 15.68204 448363.58 0.0 1641396.3 0.0 600421.6 0.0 600421.6 0.0 0.0 1641396.3 0.0 600421.6 0.0 588217.64 308509.52 200140.53333333333 1641396.3 0.0 448363.58 448363.58 0.0 1740245.0 0.0 1200843.2 0.0 0.0 1542547.6 0.0 0.0 0.0 0.0 1641396.3 0.0 1200843.2 0.0 0.0 0.0 0.0 0.0 1641396.3 0.0 1200843.2 0.0 0.0 0.0 0.0 0.0 1740245.0 0.0 1200843.2 0.0 0.0 1542547.6 0.0 0.0 0.0 0.0 980362.7333333334 514182.5333333334 220363.9428571429 0.0 0.0 1542547.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111
1366 758.5696086130603 15.70532 255480.52 0.0 0.0 0.0 1277402.6 0.0 1277402.6 0.0 0.0 0.0 0.0 1277402.6 0.0 0.0 510961.04 425800.8666666667 0.0 0.0 255480.52 255480.52 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2554805.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1277402.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1277402.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2554805.2 0.0 0.0 851601.7333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1366.0 Spectral Match to 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
1368 927.7483709384696 15.784158 15306.366 0.0 0.0 0.0 76531.83 0.0 76531.83 0.0 0.0 0.0 0.0 76531.83 0.0 0.0 30612.732 25510.61 0.0 0.0 15306.366 15306.366 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153063.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76531.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 76531.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 153063.66 0.0 0.0 51021.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87
1369 979.7226431853044 15.807549 33988.81800000001 0.0 169944.09000000003 0.0 0.0 0.0 0.0 0.0 0.0 169944.09000000003 0.0 0.0 0.0 36332.04 31645.596 0.0 169944.09000000003 0.0 33988.81800000001 33988.81800000001 0.0 181660.2 0.0 0.0 0.0 0.0 158227.98 0.0 0.0 0.0 0.0 169944.09000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169944.09000000003 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181660.2 0.0 0.0 0.0 0.0 158227.98 0.0 0.0 0.0 0.0 60553.4 52742.66 22603.997142857144 0.0 0.0 158227.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41
1370 996.7493027306472 15.807549 158393.6 0.0 791968.0 0.0 0.0 0.0 0.0 0.0 0.0 791968.0 0.0 0.0 0.0 168143.38 148643.82 0.0 791968.0 0.0 158393.6 158393.6 0.0 840716.9 0.0 0.0 0.0 0.0 743219.1 0.0 0.0 0.0 0.0 791968.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 791968.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 840716.9 0.0 0.0 0.0 0.0 743219.1 0.0 0.0 0.0 0.0 280238.9666666667 247739.7 106174.15714285712 0.0 0.0 743219.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41
1371 1001.7043179499924 15.823532 24124.7974 0.0 120623.987 0.0 0.0 0.0 0.0 0.0 0.0 120623.987 0.0 0.0 0.0 25086.548000000003 23163.0468 0.0 120623.987 0.0 24124.7974 24124.7974 0.0 125432.74 0.0 0.0 0.0 0.0 115815.234 0.0 0.0 0.0 0.0 120623.987 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120623.987 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125432.74 0.0 0.0 0.0 0.0 115815.234 0.0 0.0 0.0 0.0 41810.91333333334 38605.078 16545.033428571427 0.0 0.0 115815.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 208
1373 596.5247793605859 15.840188 42797.656 0.0 213988.28 0.0 0.0 0.0 0.0 0.0 0.0 213988.28 0.0 0.0 0.0 85595.312 0.0 0.0 213988.28 0.0 42797.656 42797.656 0.0 427976.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213988.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 213988.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427976.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 142658.85333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1374 715.5643160565082 15.856634 22042.748 0.0 110213.74 0.0 0.0 0.0 0.0 0.0 0.0 110213.74 0.0 0.0 0.0 44085.496 0.0 0.0 110213.74 0.0 22042.748 22042.748 0.0 220427.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110213.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110213.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220427.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73475.82666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1375 589.4800332662593 15.887995 18084.019 0.0 90420.095 0.0 0.0 0.0 0.0 0.0 0.0 90420.095 0.0 0.0 0.0 36168.038 0.0 0.0 90420.095 0.0 18084.019 18084.019 0.0 180840.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90420.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90420.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 180840.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60280.06333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1376 584.5246072811383 15.903953 54572.64 0.0 272863.2 0.0 0.0 0.0 0.0 0.0 0.0 272863.2 0.0 0.0 0.0 109145.28 0.0 0.0 272863.2 0.0 54572.64 54572.64 0.0 545726.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 272863.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 272863.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 545726.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181908.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1376.0 DG(16:0/16:1/0:0); [M+NH4]+ C35H70N1O5
1377 748.5933730255911 15.903953 36829.17 0.0 184145.85 0.0 0.0 0.0 0.0 0.0 0.0 184145.85 0.0 0.0 0.0 73658.34 0.0 0.0 184145.85 0.0 36829.17 36829.17 0.0 368291.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184145.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 184145.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 368291.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122763.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1378 413.37765580717627 15.922773 13322.603 66613.015 0.0 0.0 0.0 0.0 0.0 0.0 66613.015 0.0 0.0 0.0 0.0 0.0 26645.206 22204.338333333333 0.0 0.0 13322.603 13322.603 0.0 0.0 0.0 0.0 0.0 133226.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133226.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133226.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133226.03 0.0 0.0 0.0 0.0 33306.5075 0.0 0.0 19032.29 44408.676666666666 0.0 0.0 0.0 0.0 66613.015 0.0 0.0 0.0 0.0 0.0 133226.03 -1 1378.0 Massbank:RP010703 delta4-Dafachronic acid|3-Oxocholest-4-en-26-oic acid|(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic ac
1379 811.7579893951417 15.934904 20450.356 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 40900.712 0.0 102251.78 0.0 20450.356 20450.356 0.0 0.0 0.0 0.0 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102251.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 0.0 68167.85333333333 29214.794285714284 0.0 0.0 204503.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1379.0 TG(14:0/16:0/17:0); [M+NH4]+ C50H100N1O6
1380 928.759963404921 15.939898 56095.579000000005 0.0 0.0 0.0 213745.56 66732.335 213745.56 66732.335 0.0 0.0 0.0 213745.56 66732.335 0.0 112191.158 93492.63166666668 0.0 0.0 56095.579000000005 56095.579000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427491.12 133464.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280477.895 0.0 0.0 0.0 0.0 0.0 0.0 0.0 280477.895 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 427491.12 133464.67 0.0 142497.04 44488.223333333335 19066.38142857143 0.0 0.0 0.0 0.0 133464.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87
1381 697.4800070605079 15.942785 11822.314 0.0 0.0 0.0 59111.57 0.0 59111.57 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 23644.628 19703.856666666667 0.0 0.0 11822.314 11822.314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118223.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 59111.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118223.14 0.0 0.0 39407.71333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 371
1382 816.6557237338368 15.9513855 12857.248 0.0 64286.24 0.0 0.0 0.0 0.0 0.0 0.0 64286.24 0.0 0.0 0.0 0.0 25714.496 0.0 64286.24 0.0 12857.248 12857.248 0.0 0.0 0.0 0.0 0.0 0.0 128572.48 0.0 0.0 0.0 0.0 64286.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 64286.24 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 128572.48 0.0 0.0 0.0 0.0 0.0 42857.49333333333 18367.49714285714 0.0 0.0 128572.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1383 682.5766209270132 15.952858 92045.788 55504.65 404724.29 0.0 0.0 0.0 0.0 0.0 55504.65 404724.29 0.0 0.0 0.0 81751.16 102340.416 18501.55 404724.29 0.0 92045.788 92045.788 0.0 408755.8 0.0 0.0 0.0 111009.3 400692.78 0.0 0.0 0.0 0.0 404724.29 0.0 0.0 0.0 111009.3 0.0 0.0 0.0 404724.29 0.0 0.0 0.0 111009.3 0.0 0.0 0.0 408755.8 0.0 0.0 0.0 111009.3 400692.78 0.0 0.0 0.0 27752.325 136251.93333333332 133564.26 73100.29714285715 37003.1 0.0 400692.78 0.0 0.0 55504.65 0.0 0.0 0.0 0.0 0.0 111009.3 67
1384 615.4957694133949 15.968447 10749.357 0.0 53746.785 0.0 0.0 0.0 0.0 0.0 0.0 53746.785 0.0 0.0 0.0 21498.714 0.0 0.0 53746.785 0.0 10749.357 10749.357 0.0 107493.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53746.785 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53746.785 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107493.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35831.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44
1387 537.5353123839888 15.992514 124604.038 0.0 0.0 0.0 361890.0 261130.19 361890.0 261130.19 0.0 0.0 0.0 361890.0 261130.19 146057.5 103150.576 207673.39666666664 0.0 0.0 124604.038 124604.038 0.0 0.0 0.0 534627.9 195659.6 0.0 0.0 0.0 189152.1 326600.78 0.0 0.0 0.0 534627.9 195659.6 0.0 0.0 257876.44 0.0 0.0 0.0 534627.9 195659.6 0.0 0.0 257876.44 0.0 0.0 0.0 534627.9 195659.6 0.0 0.0 0.0 189152.1 326600.78 48914.9 241260.0 108866.92666666668 74608.62571428572 65219.86666666667 0.0 0.0 0.0 326600.78 0.0 0.0 195659.6 0.0 0.0 195659.6 0.0 144
1390 786.6008246031786 16.00527 84734.05 0.0 0.0 0.0 423670.25 0.0 423670.25 0.0 0.0 0.0 0.0 423670.25 0.0 0.0 169468.1 141223.41666666666 0.0 0.0 84734.05 84734.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 847340.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423670.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 423670.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 847340.5 0.0 0.0 282446.8333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39 1390.0 Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
1391 563.5031548564784 16.032461 36231.275 0.0 181156.375 0.0 0.0 0.0 0.0 0.0 0.0 181156.375 0.0 0.0 0.0 72462.55 0.0 0.0 181156.375 0.0 36231.275 36231.275 0.0 362312.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181156.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 181156.375 0.0 0.0 0.0 0.0 0.0 0.0 0.0 362312.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120770.91666666669 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1392 762.6091529914278 16.032461 37953.403000000006 0.0 189767.015 0.0 0.0 0.0 0.0 0.0 0.0 189767.015 0.0 0.0 0.0 75906.80600000001 0.0 0.0 189767.015 0.0 37953.403000000006 37953.403000000006 0.0 379534.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189767.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 189767.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 379534.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 126511.34333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1393 1179.0488318718171 16.04835 13675.444 0.0 68377.22 0.0 0.0 0.0 0.0 0.0 0.0 68377.22 0.0 0.0 0.0 27350.888 0.0 0.0 68377.22 0.0 13675.444 13675.444 0.0 136754.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68377.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68377.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136754.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45584.81333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1394 1184.003892411858 16.04835 30192.184 0.0 150960.92 0.0 0.0 0.0 0.0 0.0 0.0 150960.92 0.0 0.0 0.0 60384.368 0.0 0.0 150960.92 0.0 30192.184 30192.184 0.0 301921.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150960.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 150960.92 0.0 0.0 0.0 0.0 0.0 0.0 0.0 301921.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100640.61333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1395 559.5174328301255 16.055494 15657.148 0.0 0.0 0.0 78285.74 0.0 78285.74 0.0 0.0 0.0 0.0 78285.74 0.0 31314.296 0.0 26095.24666666667 0.0 0.0 15657.148 15657.148 0.0 0.0 0.0 156571.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156571.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156571.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 156571.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52190.49333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1396 591.4950946791364 16.057156 31573.872 157869.36 0.0 0.0 0.0 0.0 0.0 0.0 157869.36 0.0 0.0 0.0 0.0 63147.74399999999 0.0 52623.12 0.0 0.0 31573.872 31573.872 315738.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 315738.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 315738.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 315738.72 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78934.68 0.0 0.0 45105.53142857143 105246.24 0.0 0.0 0.0 0.0 157869.36 0.0 0.0 315738.72 0.0 0.0 0.0 53
1397 663.5312925345731 16.06077 10421.234 0.0 0.0 52106.17 0.0 0.0 0.0 0.0 0.0 0.0 52106.17 0.0 0.0 0.0 20842.468 0.0 0.0 52106.17 10421.234 10421.234 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 34737.44666666666 14887.477142857142 0.0 0.0 0.0 104212.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 111
1398 603.4956544388879 16.064285 85672.11 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 171344.22 0.0 0.0 428360.55 0.0 85672.11 85672.11 0.0 856721.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 428360.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 856721.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 285573.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176
1399 609.5449301491526 16.069044 86593.85 0.0 0.0 0.0 432969.25 0.0 432969.25 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 173187.7 144323.08333333334 0.0 0.0 86593.85 86593.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865938.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 432969.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 865938.5 0.0 0.0 288646.1666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1400 598.5403709285113 16.072166 260860.614 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 487616.04 34105.188 0.0 1304303.07 0.0 260860.614 260860.614 0.0 2438080.2 0.0 0.0 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1304303.07 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2438080.2 0.0 0.0 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 812693.4 56841.98 24360.84857142857 0.0 0.0 170525.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1401 548.5035572865368 16.073933 470481.82 455961.53 68662.97 190571.125 1466806.165 170407.31 1466806.165 170407.31 455961.53 68662.97 190571.125 1466806.165 170407.31 809741.962 131221.678 697725.0016666667 68662.97 190571.125 470481.82 470481.82 911923.06 0.0 381142.25 2755644.5 0.0 0.0 137325.94 0.0 177967.83 340814.62 911923.06 68662.97 381142.25 2755644.5 0.0 0.0 0.0 259391.225 911923.06 68662.97 381142.25 2755644.5 0.0 0.0 0.0 259391.225 911923.06 0.0 381142.25 2755644.5 0.0 0.0 137325.94 0.0 177967.83 340814.62 323266.3275 977870.7766666668 159380.18666666668 253029.41 303974.35333333333 381142.25 137325.94 0.0 340814.62 455961.53 381142.25 0.0 911923.06 381142.25 0.0 0.0 374
1402 1276.0861153678866 16.084686 10430.1055 0.0 0.0 0.0 52150.5275 0.0 52150.5275 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 20860.211 17383.509166666667 0.0 0.0 10430.1055 10430.1055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104301.055 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 52150.5275 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 104301.055 0.0 0.0 34767.01833333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1403 654.6025963735254 16.097301 71209.925 0.0 0.0 0.0 0.0 356049.625 0.0 356049.625 0.0 0.0 0.0 0.0 356049.625 0.0 142419.85 118683.20833333331 0.0 0.0 71209.925 71209.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356049.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 356049.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 237366.41666666663 101728.46428571428 0.0 0.0 0.0 0.0 712099.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1404 649.5373468282482 16.100029 19989.725 0.0 0.0 0.0 99948.625 0.0 99948.625 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 39979.45 33316.208333333336 0.0 0.0 19989.725 19989.725 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199897.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99948.625 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199897.25 0.0 0.0 66632.41666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1405 684.5929318391354 16.111872 13660.78 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 27321.56 0.0 68303.9 0.0 13660.78 13660.78 0.0 0.0 0.0 0.0 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68303.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 0.0 45535.93333333333 19515.4 0.0 0.0 136607.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1406 624.5558780012396 16.113148 24875.019 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 49750.038 0.0 0.0 124375.095 0.0 24875.019 24875.019 0.0 248750.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 124375.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 248750.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82916.73 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 9 1406.0 DG(17:1/18:1/0:0); [M+NH4]+ C38H74N1O5
1407 930.7752280596312 16.12997 9534.053 0.0 0.0 0.0 0.0 47670.265 0.0 47670.265 0.0 0.0 0.0 0.0 47670.265 0.0 19068.106 15890.088333333331 0.0 0.0 9534.053 9534.053 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47670.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47670.265 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 31780.176666666663 13620.075714285716 0.0 0.0 0.0 0.0 95340.53 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87
1408 475.41449348494 16.134884 13479.978 0.0 0.0 0.0 67399.89 0.0 67399.89 0.0 0.0 0.0 0.0 67399.89 0.0 26959.956 0.0 22466.63 0.0 0.0 13479.978 13479.978 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 134799.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44933.26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 374
1409 635.5221817992559 16.134884 20925.238 0.0 0.0 0.0 104626.19 0.0 104626.19 0.0 0.0 0.0 0.0 104626.19 0.0 41850.476 0.0 34875.39666666667 0.0 0.0 20925.238 20925.238 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 209252.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69750.79333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1410 644.5822171742495 16.15023 70578.95 0.0 0.0 0.0 352894.75 0.0 352894.75 0.0 0.0 0.0 0.0 352894.75 0.0 29110.140000000003 112047.76 117631.58333333331 0.0 0.0 70578.95 70578.95 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 0.0 560238.8 0.0 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 280119.4 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 280119.4 0.0 0.0 0.0 145550.7 0.0 0.0 0.0 0.0 560238.8 0.0 0.0 235263.16666666663 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1411 630.5659118857878 16.150703 16964.817000000003 0.0 0.0 0.0 84824.085 0.0 84824.085 0.0 0.0 0.0 0.0 84824.085 0.0 33929.634000000005 0.0 28274.695000000003 0.0 0.0 16964.817000000003 16964.817000000003 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169648.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56549.39000000001 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1412 577.5185360379013 16.17582 51918.056 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 103836.112 0.0 0.0 259590.28 0.0 51918.056 51918.056 0.0 519180.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 259590.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 519180.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 173060.18666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33 1412.0 Spectral Match to 1-Palmitoyl-2-oleoyl-sn-glycerol from NIST14
1413 776.624790682319 16.17582 13039.186 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 26078.372 0.0 0.0 65195.93 0.0 13039.186 13039.186 0.0 130391.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65195.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130391.86 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 43463.95333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1414 1207.0793515511384 16.17582 25139.436 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 50278.872 0.0 0.0 125697.18 0.0 25139.436 25139.436 0.0 251394.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 125697.18 0.0 0.0 0.0 0.0 0.0 0.0 0.0 251394.36 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 83798.12 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 -1
1415 1212.0343975593844 16.17582 48632.994 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 97265.988 0.0 0.0 243164.97 0.0 48632.994 48632.994 0.0 486329.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 243164.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 486329.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 162109.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1416 612.5561347069131 16.184029 378238.174 0.0 1891190.87 0.0 0.0 0.0 0.0 0.0 0.0 1891190.87 0.0 0.0 0.0 682464.96 74011.388 0.0 1891190.87 0.0 378238.174 378238.174 0.0 3412324.8 0.0 0.0 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 1891190.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1891190.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3412324.8 0.0 0.0 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 1137441.6 123352.31333333334 52865.27714285714 0.0 0.0 370056.94 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1416.0 DAG (16:0/18:1)
1417 617.511400954073 16.184029 153983.108 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 265303.04 42663.176 0.0 769915.54 0.0 153983.108 153983.108 0.0 1326515.2 0.0 0.0 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 769915.54 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1326515.2 0.0 0.0 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 442171.7333333333 71105.29333333333 30473.697142857145 0.0 0.0 213315.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44
1418 673.4801713752064 16.196323 14132.47 0.0 0.0 0.0 70662.35 0.0 70662.35 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 28264.94 23554.11666666667 0.0 0.0 14132.47 14132.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141324.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70662.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141324.7 0.0 0.0 47108.23333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 371
1419 1186.019097058749 16.207613 19783.42 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 39566.84 0.0 0.0 98917.1 0.0 19783.42 19783.42 0.0 197834.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 98917.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 197834.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65944.73333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47
1420 591.4959689870118 16.220495 117959.998 0.0 83440.74 127671.615 317505.95 61181.685 317505.95 61181.685 0.0 83440.74 127671.615 317505.95 61181.685 235919.996 0.0 126229.21166666668 83440.74 127671.615 117959.998 117959.998 0.0 166881.48 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 0.0 0.0 83440.74 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 83440.74 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 166881.48 255343.23 635011.9 122363.37 0.0 0.0 0.0 0.0 0.0 94426.65 267297.79333333333 0.0 53958.08571428571 40787.79 255343.23 0.0 0.0 0.0 0.0 255343.23 122363.37 0.0 255343.23 122363.37 0.0 53
1421 586.5403750253672 16.227623 60038.322 0.0 115389.03 0.0 184802.58 0.0 184802.58 0.0 0.0 115389.03 0.0 184802.58 0.0 120076.644 0.0 61600.85999999999 115389.03 0.0 60038.322 60038.322 0.0 230778.06 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115389.03 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 115389.03 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 230778.06 0.0 369605.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 200127.74 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1421.0 DAG (16:0/16:0)
1422 1160.00434648401 16.230766 36159.331 0.0 0.0 75786.42 105010.235 0.0 105010.235 0.0 0.0 0.0 75786.42 105010.235 0.0 72318.662 0.0 35003.41166666667 0.0 75786.42 36159.331 36159.331 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 151572.84 210020.47 0.0 0.0 0.0 0.0 0.0 0.0 37893.21 70006.82333333333 0.0 21653.262857142858 0.0 151572.84 0.0 0.0 0.0 0.0 151572.84 0.0 0.0 151572.84 0.0 0.0 53
1423 647.4584384801964 16.24676 141177.489 97051.82 0.0 0.0 483721.435 125114.19 483721.435 125114.19 97051.82 0.0 0.0 483721.435 125114.19 197607.248 84747.73000000001 235295.81500000003 0.0 0.0 141177.489 141177.489 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 0.0 173510.27 250228.38 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 211869.325 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 211869.325 194103.64 0.0 0.0 793932.6 0.0 0.0 0.0 0.0 173510.27 250228.38 48525.91 322480.95666666667 83409.46 63476.00285714286 64701.21333333334 0.0 0.0 0.0 250228.38 97051.82 0.0 0.0 194103.64 0.0 0.0 0.0 -1
1424 551.5031175243948 16.247633 15105.598000000002 0.0 0.0 0.0 75527.99 0.0 75527.99 0.0 0.0 0.0 0.0 75527.99 0.0 30211.196000000004 0.0 25175.99666666667 0.0 0.0 15105.598000000002 15105.598000000002 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 151055.98 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50351.99333333334 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33 1424.0 AEG(o-16:2/16:0)
1426 506.4718193466806 16.263575 22681.919 0.0 0.0 0.0 113409.595 0.0 113409.595 0.0 0.0 0.0 0.0 113409.595 0.0 45363.838 0.0 37803.19833333333 0.0 0.0 22681.919 22681.919 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 226819.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 75606.39666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57
1427 638.5717855898666 16.273102 9711.9 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 19423.8 0.0 48559.5 0.0 9711.9 9711.9 0.0 0.0 0.0 0.0 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48559.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 0.0 32373.0 13874.142857142857 0.0 0.0 97119.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36 1427.0 DG(18:0/18:2/0:0); [M+NH4]+ C39H76N1O5
1428 668.618456904167 16.27497 14685.219 0.0 0.0 0.0 0.0 73426.095 0.0 73426.095 0.0 0.0 0.0 0.0 73426.095 0.0 29370.438 24475.365 0.0 0.0 14685.219 14685.219 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73426.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 73426.095 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 48950.73 20978.884285714284 0.0 0.0 0.0 0.0 146852.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1429 565.5666649025528 16.317085 124694.856 0.0 0.0 0.0 358418.21 265056.07 358418.21 265056.07 0.0 0.0 0.0 358418.21 265056.07 142196.784 107192.928 207824.76 0.0 0.0 124694.856 124694.856 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 0.0 195194.52 340770.12 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 267982.32 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 267982.32 0.0 0.0 0.0 521641.9 189342.02 0.0 0.0 0.0 195194.52 340770.12 47335.505 238945.47333333336 113590.04 75730.30571428571 63114.00666666666 0.0 0.0 0.0 340770.12 0.0 0.0 189342.02 0.0 0.0 189342.02 0.0 144
1430 565.5186038389527 16.319542 13991.334 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 27982.668 0.0 0.0 69956.67 0.0 13991.334 13991.334 0.0 139913.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 69956.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 139913.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 46637.78 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 33
1431 591.5342346066373 16.319542 18807.369 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 37614.738 0.0 0.0 94036.845 0.0 18807.369 18807.369 0.0 188073.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94036.845 0.0 0.0 0.0 0.0 0.0 0.0 0.0 188073.69 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 62691.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1432 676.5850966966406 16.320747 44056.022 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 88112.044 0.0 220280.11 0.0 44056.022 44056.022 0.0 0.0 0.0 0.0 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220280.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 0.0 146853.40666666665 62937.17428571428 0.0 0.0 440560.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 308
1433 619.5264947859304 16.330982 22316.988 111584.94 0.0 0.0 0.0 0.0 0.0 0.0 111584.94 0.0 0.0 0.0 0.0 44633.976 0.0 37194.98 0.0 0.0 22316.988 22316.988 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223169.88 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55792.47 0.0 0.0 31881.411428571428 74389.96 0.0 0.0 0.0 0.0 111584.94 0.0 0.0 223169.88 0.0 0.0 0.0 44
1435 626.5716408015104 16.351238 161403.72 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 322807.44 0.0 0.0 807018.6 0.0 161403.72 161403.72 0.0 1614037.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 807018.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1614037.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 538012.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1435.0 DG(17:0/18:1/0:0); [M+NH4]+ C38H76N1O5
1436 631.5269165181998 16.351238 70267.8 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 140535.6 0.0 0.0 351339.0 0.0 70267.8 70267.8 0.0 702678.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351339.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 702678.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 234226.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1437 1209.0946957685712 16.351238 12065.193 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 24130.386 0.0 0.0 60325.965 0.0 12065.193 12065.193 0.0 120651.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60325.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 120651.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 40217.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1438 600.5559793484733 16.366983 72680.81 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 145361.62 0.0 0.0 363404.05 0.0 72680.81 72680.81 0.0 726808.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 363404.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 726808.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 242269.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1439 1188.034883823506 16.366983 18229.955 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 36459.91 0.0 0.0 91149.775 0.0 18229.955 18229.955 0.0 182299.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91149.775 0.0 0.0 0.0 0.0 0.0 0.0 0.0 182299.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60766.51666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1440 605.5115357980126 16.368164 76947.763 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 129103.25 24792.276 0.0 384738.815 0.0 76947.763 76947.763 0.0 645516.25 0.0 0.0 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 0.0 384738.815 0.0 0.0 0.0 0.0 0.0 0.0 0.0 645516.25 0.0 0.0 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 215172.0833333333 41320.46 17708.768571428573 0.0 0.0 123961.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176
1441 654.602700968097 16.379902 254719.413 0.0 1144908.4 128688.665 0.0 0.0 0.0 0.0 0.0 1144908.4 128688.665 0.0 0.0 0.0 509438.826 0.0 1144908.4 128688.665 254719.413 254719.413 0.0 0.0 0.0 0.0 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 1144908.4 0.0 0.0 0.0 0.0 257377.33 0.0 0.0 1144908.4 0.0 0.0 0.0 0.0 257377.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 0.0 849064.71 363884.8757142857 0.0 0.0 2289816.8 257377.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1442 587.5489537025809 16.389107 11512.062 0.0 0.0 0.0 0.0 57560.31 0.0 57560.31 0.0 0.0 0.0 0.0 57560.31 23024.124 0.0 19186.77 0.0 0.0 11512.062 11512.062 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 0.0 0.0 0.0 28780.155 0.0 0.0 16445.802857142855 38373.54 0.0 0.0 0.0 0.0 0.0 0.0 115120.62 0.0 0.0 115120.62 0.0 53
1443 750.6395499965065 16.392391 41142.334 0.0 205711.67 0.0 0.0 0.0 0.0 0.0 0.0 205711.67 0.0 0.0 0.0 38449.572 43835.096000000005 0.0 205711.67 0.0 41142.334 41142.334 0.0 192247.86 0.0 0.0 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 205711.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205711.67 0.0 0.0 0.0 0.0 0.0 0.0 0.0 192247.86 0.0 0.0 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 64082.62 73058.49333333333 31310.782857142854 0.0 0.0 219175.48 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 67
1444 577.5157786258899 16.411015 17691.531 88457.655 0.0 0.0 0.0 0.0 0.0 0.0 88457.655 0.0 0.0 0.0 0.0 35383.062 0.0 29485.885 0.0 0.0 17691.531 17691.531 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 176915.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44228.8275 0.0 0.0 25273.61571428572 58971.77 0.0 0.0 0.0 0.0 88457.655 0.0 0.0 176915.31 0.0 0.0 0.0 352
1446 682.6343876215353 16.436756 67512.6 0.0 0.0 0.0 0.0 337563.0 0.0 337563.0 0.0 0.0 0.0 0.0 337563.0 0.0 135025.2 112521.0 0.0 0.0 67512.6 67512.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337563.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337563.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 225042.0 96446.57142857143 0.0 0.0 0.0 0.0 675126.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1447 704.6160949882536 16.436756 15734.966 0.0 0.0 0.0 0.0 78674.83 0.0 78674.83 0.0 0.0 0.0 0.0 78674.83 0.0 31469.932 26224.943333333333 0.0 0.0 15734.966 15734.966 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78674.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78674.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 52449.886666666665 22478.522857142856 0.0 0.0 0.0 0.0 157349.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60
1448 633.5420348731512 16.491585 12924.9516 64624.758 0.0 0.0 0.0 0.0 0.0 0.0 64624.758 0.0 0.0 0.0 0.0 25849.9032 0.0 21541.586 0.0 0.0 12924.9516 12924.9516 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129249.516 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32312.379 0.0 0.0 18464.216571428573 43083.172 0.0 0.0 0.0 0.0 64624.758 0.0 0.0 129249.516 0.0 0.0 0.0 106
1449 579.5343124898897 16.494984 39965.966 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 79931.932 0.0 0.0 199829.83 0.0 39965.966 39965.966 0.0 399659.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 199829.83 0.0 0.0 0.0 0.0 0.0 0.0 0.0 399659.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 133219.88666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1450 640.5874910949103 16.494984 21545.764000000003 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 43091.528000000006 0.0 0.0 107728.82 0.0 21545.764000000003 21545.764000000003 0.0 215457.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 107728.82 0.0 0.0 0.0 0.0 0.0 0.0 0.0 215457.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 71819.21333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1450.0 DG(18:0/18:1/0:0); [M+NH4]+ C39H78N1O5
1453 638.6081038139024 16.51513 13619.519 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 27239.038 0.0 68097.595 0.0 13619.519 13619.519 0.0 0.0 0.0 0.0 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68097.595 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 0.0 45398.39666666667 19456.45571428572 0.0 0.0 136195.19 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1454 668.618564405976 16.51513 52289.844 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 104579.688 0.0 261449.22 0.0 52289.844 52289.844 0.0 0.0 0.0 0.0 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 261449.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 0.0 174299.48 74699.77714285714 0.0 0.0 522898.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1455 480.513673003908 16.517466 269424.3896 367956.5 151086.64299999998 66964.805 761114.0 0.0 761114.0 0.0 367956.5 151086.64299999998 66964.805 761114.0 0.0 329480.50320000004 209368.276 376356.8333333333 151086.64299999998 66964.805 269424.3896 269424.3896 0.0 125174.516 0.0 1522228.0 0.0 735913.0 176998.77 133929.61 0.0 0.0 0.0 151086.64299999998 0.0 1522228.0 0.0 735913.0 133929.61 0.0 0.0 151086.64299999998 0.0 1522228.0 0.0 735913.0 133929.61 0.0 0.0 125174.516 0.0 1522228.0 0.0 735913.0 176998.77 133929.61 0.0 0.0 183978.25 549134.172 103642.79333333332 149548.76857142858 245304.3333333333 0.0 176998.77 133929.61 0.0 367956.5 0.0 0.0 0.0 0.0 0.0 735913.0 78
1456 1211.1106048102697 16.526543 44450.003 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 88900.00600000001 0.0 0.0 222250.015 0.0 44450.003 44450.003 0.0 444500.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 222250.015 0.0 0.0 0.0 0.0 0.0 0.0 0.0 444500.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 148166.67666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1457 918.723625258892 16.549076 11050.444 0.0 0.0 0.0 55252.22 0.0 55252.22 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 22100.888 18417.406666666662 0.0 0.0 11050.444 11050.444 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110504.44 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55252.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110504.44 0.0 0.0 36834.81333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155
1458 1216.066229962075 16.561253 132249.908 0.0 457527.4 84083.79 119638.35 0.0 119638.35 0.0 0.0 457527.4 84083.79 119638.35 0.0 264499.816 0.0 39879.45 457527.4 84083.79 132249.908 132249.908 0.0 915054.8 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 457527.4 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 457527.4 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 915054.8 168167.58 239276.7 0.0 0.0 0.0 0.0 0.0 0.0 42041.895 384777.1666666667 0.0 24023.94 0.0 168167.58 0.0 0.0 0.0 0.0 168167.58 0.0 0.0 168167.58 0.0 0.0 -1
1459 656.6185510449894 16.564077 21831.114 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 43662.228 0.0 109155.57 0.0 21831.114 21831.114 0.0 0.0 0.0 0.0 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109155.57 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 0.0 72770.38 31187.30571428572 0.0 0.0 218311.14 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1460 824.7703116279262 16.564077 21849.362 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 43698.724 0.0 109246.81 0.0 21849.362 21849.362 0.0 0.0 0.0 0.0 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 109246.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 0.0 72831.20666666667 31213.37428571429 0.0 0.0 218493.62 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1460.0 TG(16:0/16:0/16:0); [M+NH4]+ C51H102N1O6
1461 912.76499640248 16.56474 35753.78 0.0 0.0 0.0 178768.9 0.0 178768.9 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 71507.56 59589.63333333333 0.0 0.0 35753.78 35753.78 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357537.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 178768.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 357537.8 0.0 0.0 119179.26666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87 1461.0 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6
1462 917.7202337904052 16.56474 21778.616 0.0 0.0 0.0 108893.08 0.0 108893.08 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 43557.232 36297.693333333336 0.0 0.0 21778.616 21778.616 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217786.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108893.08 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 217786.16 0.0 0.0 72595.38666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 155
1463 619.5272874363694 16.56581 299174.537 0.0 819307.535 160471.4 410955.28 105138.47 410955.28 105138.47 0.0 819307.535 160471.4 410955.28 105138.47 557701.9800000001 40647.094 172031.25 819307.535 160471.4 299174.537 299174.537 0.0 1435379.6 320942.8 821910.56 210276.94 0.0 203235.47 0.0 0.0 0.0 0.0 819307.535 320942.8 821910.56 210276.94 0.0 0.0 0.0 0.0 819307.535 320942.8 821910.56 210276.94 0.0 0.0 0.0 0.0 1435379.6 320942.8 821910.56 210276.94 0.0 203235.47 0.0 0.0 0.0 132804.935 752430.0533333333 67745.15666666666 104922.17285714284 70092.31333333334 320942.8 203235.47 0.0 0.0 0.0 320942.8 210276.94 0.0 320942.8 210276.94 0.0 44
1464 614.5717721346934 16.580555 212838.763 0.0 889620.3 0.0 174573.515 0.0 174573.515 0.0 0.0 889620.3 0.0 174573.515 0.0 425677.526 0.0 58191.17166666667 889620.3 0.0 212838.763 212838.763 0.0 1779240.6 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 889620.3 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 889620.3 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 1779240.6 0.0 349147.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 709462.5433333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 1464.0 DG(16:0/18:0/0:0); [M+NH4]+ C37H76N1O5
1465 707.5219477225627 16.613121 53767.46 0.0 0.0 0.0 268837.3 0.0 268837.3 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 107534.92 89612.43333333333 0.0 0.0 53767.46 53767.46 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537674.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 268837.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 537674.6 0.0 0.0 179224.86666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1466 628.5870616958691 16.617615 172003.002 0.0 766305.9 0.0 93709.11 0.0 93709.11 0.0 0.0 766305.9 0.0 93709.11 0.0 306522.36 37483.644 31236.37 766305.9 0.0 172003.002 172003.002 0.0 1532611.8 0.0 0.0 0.0 0.0 0.0 0.0 187418.22 0.0 0.0 766305.9 0.0 0.0 0.0 0.0 0.0 93709.11 0.0 766305.9 0.0 0.0 0.0 0.0 0.0 93709.11 0.0 1532611.8 0.0 0.0 0.0 0.0 0.0 0.0 187418.22 0.0 0.0 573343.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1467 1244.0962804819478 16.617615 96895.161 0.0 389313.0 0.0 95162.805 0.0 95162.805 0.0 0.0 389313.0 0.0 95162.805 0.0 155725.2 38065.122 31720.935 389313.0 0.0 96895.161 96895.161 0.0 778626.0 0.0 0.0 0.0 0.0 0.0 0.0 190325.61 0.0 0.0 389313.0 0.0 0.0 0.0 0.0 0.0 95162.805 0.0 389313.0 0.0 0.0 0.0 0.0 0.0 95162.805 0.0 778626.0 0.0 0.0 0.0 0.0 0.0 0.0 190325.61 0.0 0.0 322983.87 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1468 537.5237437773573 16.622608 11460.685 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 22921.370000000003 0.0 0.0 57303.425 0.0 11460.685 11460.685 0.0 114606.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57303.425 0.0 0.0 0.0 0.0 0.0 0.0 0.0 114606.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 38202.28333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1469 1230.081022345664 16.622608 9732.684 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 19465.368 0.0 0.0 48663.42 0.0 9732.684 9732.684 0.0 97326.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48663.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97326.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32442.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47
1470 494.5295638133517 16.634565 27125.506 0.0 0.0 0.0 135627.53 0.0 135627.53 0.0 0.0 0.0 0.0 135627.53 0.0 54251.012 0.0 45209.176666666666 0.0 0.0 27125.506 27125.506 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 271255.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 90418.35333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 78
1471 572.5610137916473 16.638563 24457.022 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 48914.044 0.0 0.0 122285.11 0.0 24457.022 24457.022 0.0 244570.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 122285.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 244570.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 81523.40666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1472 577.5164106861771 16.638563 35199.21 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 70398.42 0.0 0.0 175996.05 0.0 35199.21 35199.21 0.0 351992.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 175996.05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 351992.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 117330.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 352
1473 1188.0713273093695 16.638563 20607.728 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 41215.456 0.0 0.0 103038.64 0.0 20607.728 20607.728 0.0 206077.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 103038.64 0.0 0.0 0.0 0.0 0.0 0.0 0.0 206077.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68692.42666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1474 729.5038705553293 16.644869 9439.593 0.0 0.0 0.0 47197.965 0.0 47197.965 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 18879.186 15732.655 0.0 0.0 9439.593 9439.593 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94395.93 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47197.965 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94395.93 0.0 0.0 31465.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1475 463.4481240217725 16.649525 31894.985 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 39782.42 24007.55 0.0 159474.925 0.0 31894.985 31894.985 0.0 198912.1 0.0 0.0 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 159474.925 0.0 0.0 0.0 0.0 0.0 0.0 0.0 198912.1 0.0 0.0 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 66304.03333333334 40012.583333333336 17148.25 0.0 0.0 120037.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1476 593.5496579352649 16.68595 28344.397 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 56688.794 0.0 0.0 141721.985 0.0 28344.397 28344.397 0.0 283443.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141721.985 0.0 0.0 0.0 0.0 0.0 0.0 0.0 283443.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94481.32333333332 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1477 633.5426237899305 16.688995 210927.0544 0.0 817409.182 0.0 237226.09000000003 0.0 237226.09000000003 0.0 0.0 817409.182 0.0 237226.09000000003 0.0 343982.736 77871.3728 79075.36333333334 817409.182 0.0 210927.0544 210927.0544 0.0 1535277.2 0.0 184636.48 0.0 0.0 99541.164 0.0 289815.7 0.0 0.0 817409.182 0.0 184636.48 0.0 0.0 0.0 144907.85 0.0 817409.182 0.0 184636.48 0.0 0.0 0.0 144907.85 0.0 1535277.2 0.0 184636.48 0.0 0.0 99541.164 0.0 289815.7 0.0 0.0 669909.7933333333 33180.388 14220.166285714286 0.0 0.0 99541.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 106
1478 629.5905908687764 16.701881 63340.60600000001 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 126681.212 0.0 0.0 316703.03 0.0 63340.60600000001 63340.60600000001 0.0 633406.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 316703.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 633406.06 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 211135.35333333336 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1479 1239.1411510729713 16.701881 32633.8 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 65267.6 0.0 0.0 163169.0 0.0 32633.8 32633.8 0.0 326338.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 163169.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 326338.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 108779.33333333331 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1480 704.6161991121241 16.709578 67146.56999999999 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 134293.13999999998 0.0 335732.85 0.0 67146.56999999999 67146.56999999999 0.0 0.0 0.0 0.0 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 335732.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 0.0 223821.9 95923.67142857144 0.0 0.0 671465.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 60
1481 861.6582657602195 16.775545 9713.866 0.0 0.0 0.0 0.0 48569.33 0.0 48569.33 0.0 0.0 0.0 0.0 48569.33 0.0 19427.732 16189.776666666668 0.0 0.0 9713.866 9713.866 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48569.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48569.33 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 32379.553333333333 13876.951428571429 0.0 0.0 0.0 0.0 97138.66 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168
1482 1202.0870566906444 16.782251 10078.284 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 20156.568 0.0 0.0 50391.42 0.0 10078.284 10078.284 0.0 100782.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 50391.42 0.0 0.0 0.0 0.0 0.0 0.0 0.0 100782.84 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33594.28 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47
1486 682.6339942044672 16.795353 246003.25 0.0 1094654.1 135362.15 0.0 0.0 0.0 0.0 0.0 1094654.1 135362.15 0.0 0.0 0.0 492006.5 0.0 1094654.1 135362.15 246003.25 246003.25 0.0 0.0 0.0 0.0 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 1094654.1 0.0 0.0 0.0 0.0 270724.3 0.0 0.0 1094654.1 0.0 0.0 0.0 0.0 270724.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 0.0 820010.8333333334 351433.21428571426 0.0 0.0 2189308.2 270724.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1489 470.4355120502738 16.82997 11336.699 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 22673.398 0.0 0.0 56683.495 0.0 11336.699 11336.699 0.0 113366.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 0.0 56683.495 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113366.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37788.996666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1490 551.539535747914 16.82997 14115.189000000002 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 28230.378000000004 0.0 0.0 70575.945 0.0 14115.189000000002 14115.189000000002 0.0 141151.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 70575.945 0.0 0.0 0.0 0.0 0.0 0.0 0.0 141151.89 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 47050.630000000005 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33
1491 530.5270263269509 16.843334 11317.2555 0.0 0.0 0.0 56586.2775 0.0 56586.2775 0.0 0.0 0.0 0.0 56586.2775 0.0 22634.511 0.0 18862.0925 0.0 0.0 11317.2555 11317.2555 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113172.555 0.0 0.0 0.0 0.0 0.0 0.0 0.0 37724.185 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30
1492 591.5320674691548 16.845957 69055.91 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 138111.82 0.0 0.0 345279.55 0.0 69055.91 69055.91 0.0 690559.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 345279.55 0.0 0.0 0.0 0.0 0.0 0.0 0.0 690559.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 230186.36666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53
1493 1160.0765492693797 16.845957 13630.65 0.0 68153.25 0.0 0.0 0.0 0.0 0.0 0.0 68153.25 0.0 0.0 0.0 27261.3 0.0 0.0 68153.25 0.0 13630.65 13630.65 0.0 136306.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68153.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68153.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 136306.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 45435.5 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 -1
1494 586.576725678151 16.861965 39063.89 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 78127.78 0.0 0.0 195319.45 0.0 39063.89 39063.89 0.0 390638.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195319.45 0.0 0.0 0.0 0.0 0.0 0.0 0.0 390638.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 130212.96666666667 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1495 592.5357183313246 16.861965 26473.103000000003 0.0 132365.515 0.0 0.0 0.0 0.0 0.0 0.0 132365.515 0.0 0.0 0.0 52946.206000000006 0.0 0.0 132365.515 0.0 26473.103000000003 26473.103000000003 0.0 264731.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132365.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 132365.515 0.0 0.0 0.0 0.0 0.0 0.0 0.0 264731.03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 88243.67666666668 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 53
1496 1216.1024058083278 16.861965 11062.6164 0.0 55313.082 0.0 0.0 0.0 0.0 0.0 0.0 55313.082 0.0 0.0 0.0 22125.2328 0.0 0.0 55313.082 0.0 11062.6164 11062.6164 0.0 110626.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55313.082 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55313.082 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110626.164 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 36875.388 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1497 508.5449515420594 16.874031 444997.69000000006 537566.95 0.0 0.0 1687421.5 0.0 1687421.5 0.0 537566.95 0.0 0.0 1687421.5 0.0 674968.6 215026.78 741662.8166666668 0.0 0.0 444997.69000000006 444997.69000000006 0.0 0.0 0.0 3374843.0 0.0 1075133.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3374843.0 0.0 1075133.9 0.0 0.0 0.0 0.0 0.0 3374843.0 0.0 1075133.9 0.0 0.0 0.0 0.0 0.0 3374843.0 0.0 1075133.9 0.0 0.0 0.0 0.0 268783.475 1124947.6666666667 0.0 153590.55714285714 358377.9666666666 0.0 0.0 0.0 0.0 537566.95 0.0 0.0 0.0 0.0 0.0 1075133.9 30
1498 642.6029194891796 16.893929 33999.897 0.0 169999.485 0.0 0.0 0.0 0.0 0.0 0.0 169999.485 0.0 0.0 0.0 67999.794 0.0 0.0 169999.485 0.0 33999.897 33999.897 0.0 339998.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169999.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 169999.485 0.0 0.0 0.0 0.0 0.0 0.0 0.0 339998.97 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 113332.99 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9
1501 914.7807991432998 16.936853 16428.712 0.0 0.0 0.0 82143.56 0.0 82143.56 0.0 0.0 0.0 0.0 82143.56 0.0 0.0 32857.424 27381.186666666665 0.0 0.0 16428.712 16428.712 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164287.12 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82143.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82143.56 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 164287.12 0.0 0.0 54762.37333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 87 1501.0 TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6
1503 696.6500264249431 16.951403 20546.64 0.0 102733.2 0.0 0.0 0.0 0.0 0.0 0.0 102733.2 0.0 0.0 0.0 0.0 41093.28 0.0 102733.2 0.0 20546.64 20546.64 0.0 0.0 0.0 0.0 0.0 0.0 205466.4 0.0 0.0 0.0 0.0 102733.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 102733.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205466.4 0.0 0.0 0.0 0.0 0.0 68488.8 29352.342857142856 0.0 0.0 205466.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1504 673.5553863963239 16.963083 69475.43100000001 0.0 347377.155 0.0 0.0 0.0 0.0 0.0 0.0 347377.155 0.0 0.0 0.0 67536.712 71414.15 0.0 347377.155 0.0 69475.43100000001 69475.43100000001 0.0 337683.56 0.0 0.0 0.0 0.0 357070.75 0.0 0.0 0.0 0.0 347377.155 0.0 0.0 0.0 0.0 0.0 0.0 0.0 347377.155 0.0 0.0 0.0 0.0 0.0 0.0 0.0 337683.56 0.0 0.0 0.0 0.0 357070.75 0.0 0.0 0.0 0.0 112561.18666666666 119023.58333333331 51010.107142857145 0.0 0.0 357070.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
1505 732.5912384728722 16.963083 25916.893 0.0 129584.465 0.0 0.0 0.0 0.0 0.0 0.0 129584.465 0.0 0.0 0.0 22497.424 29336.362 0.0 129584.465 0.0 25916.893 25916.893 0.0 112487.12 0.0 0.0 0.0 0.0 146681.81 0.0 0.0 0.0 0.0 129584.465 0.0 0.0 0.0 0.0 0.0 0.0 0.0 129584.465 0.0 0.0 0.0 0.0 0.0 0.0 0.0 112487.12 0.0 0.0 0.0 0.0 146681.81 0.0 0.0 0.0 0.0 37495.706666666665 48893.93666666667 20954.544285714284 0.0 0.0 146681.81 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1506 696.5408841617052 16.967327 23751.07 0.0 118755.35 0.0 0.0 0.0 0.0 0.0 0.0 118755.35 0.0 0.0 0.0 0.0 47502.14 0.0 118755.35 0.0 23751.07 23751.07 0.0 0.0 0.0 0.0 0.0 0.0 237510.7 0.0 0.0 0.0 0.0 118755.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 118755.35 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 237510.7 0.0 0.0 0.0 0.0 0.0 79170.23333333334 33930.1 0.0 0.0 237510.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 63
1502 690.5819006207041 16.971046 548317.15 0.0 2741585.75 0.0 0.0 0.0 0.0 0.0 0.0 2741585.75 0.0 0.0 0.0 567360.4 529273.9 0.0 2741585.75 0.0 548317.15 548317.15 0.0 2836802.0 0.0 0.0 0.0 0.0 2646369.5 0.0 0.0 0.0 0.0 2741585.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2741585.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2836802.0 0.0 0.0 0.0 0.0 2646369.5 0.0 0.0 0.0 0.0 945600.6666666666 882123.1666666666 378052.78571428574 0.0 0.0 2646369.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
1507 695.5371827097216 16.971046 110061.51499999998 0.0 550307.575 0.0 0.0 0.0 0.0 0.0 0.0 550307.575 0.0 0.0 0.0 108722.48 111400.55 0.0 550307.575 0.0 110061.51499999998 110061.51499999998 0.0 543612.4 0.0 0.0 0.0 0.0 557002.75 0.0 0.0 0.0 0.0 550307.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 550307.575 0.0 0.0 0.0 0.0 0.0 0.0 0.0 543612.4 0.0 0.0 0.0 0.0 557002.75 0.0 0.0 0.0 0.0 181204.13333333333 185667.5833333333 79571.82142857143 0.0 0.0 557002.75 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51
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1523 619.563489607668 17.298357 27608.13 0.0 138040.65 0.0 0.0 0.0 0.0 0.0 0.0 138040.65 0.0 0.0 0.0 55216.26 0.0 0.0 138040.65 0.0 27608.13 27608.13 0.0 276081.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138040.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 138040.65 0.0 0.0 0.0 0.0 0.0 0.0 0.0 276081.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 92027.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44
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1525 536.5763234887212 17.358152 84152.0 220411.08 0.0 0.0 200348.92 0.0 200348.92 0.0 220411.08 0.0 0.0 200348.92 0.0 80139.568 88164.432 140253.33333333334 0.0 0.0 84152.0 84152.0 0.0 0.0 0.0 400697.84 0.0 440822.16 0.0 0.0 0.0 0.0 0.0 0.0 0.0 400697.84 0.0 440822.16 0.0 0.0 0.0 0.0 0.0 400697.84 0.0 440822.16 0.0 0.0 0.0 0.0 0.0 400697.84 0.0 440822.16 0.0 0.0 0.0 0.0 110205.54 133565.94666666668 0.0 62974.59428571428 146940.72 0.0 0.0 0.0 0.0 220411.08 0.0 0.0 0.0 0.0 0.0 440822.16 30
1526 863.5259925495417 17.44097 20500.931 0.0 0.0 0.0 102504.655 0.0 102504.655 0.0 0.0 0.0 0.0 102504.655 0.0 41001.862 0.0 34168.21833333333 0.0 0.0 20500.931 20500.931 0.0 0.0 0.0 205009.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205009.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205009.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 205009.31 0.0 0.0 0.0 0.0 0.0 0.0 0.0 68336.43666666666 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 116
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1529 697.5528088835626 17.48957 57874.622 0.0 289373.11 0.0 0.0 0.0 0.0 0.0 0.0 289373.11 0.0 0.0 0.0 61879.168000000005 53870.076 0.0 289373.11 0.0 57874.622 57874.622 0.0 309395.84 0.0 0.0 0.0 0.0 269350.38 0.0 0.0 0.0 0.0 289373.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 289373.11 0.0 0.0 0.0 0.0 0.0 0.0 0.0 309395.84 0.0 0.0 0.0 0.0 269350.38 0.0 0.0 0.0 0.0 103131.94666666668 89783.46 38478.625714285714 0.0 0.0 269350.38 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51
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1530 666.581750188733 17.554314 235020.1 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 235068.64 234971.56 0.0 1175100.5 0.0 235020.1 235020.1 0.0 1175343.2 0.0 0.0 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1175100.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1175343.2 0.0 0.0 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 391781.06666666665 391619.26666666666 167836.82857142857 0.0 0.0 1174857.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
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1533 855.5592271212406 17.584698 19529.823 0.0 0.0 0.0 97649.115 0.0 97649.115 0.0 0.0 0.0 0.0 97649.115 0.0 39059.646 0.0 32549.705 0.0 0.0 19529.823 19529.823 0.0 0.0 0.0 195298.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195298.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195298.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 195298.23 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65099.41 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1534 837.6582093805873 17.647697 22039.234 0.0 110196.17 0.0 0.0 0.0 0.0 0.0 0.0 110196.17 0.0 0.0 0.0 0.0 44078.468 0.0 110196.17 0.0 22039.234 22039.234 0.0 0.0 0.0 0.0 0.0 0.0 220392.34 0.0 0.0 0.0 0.0 110196.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110196.17 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 220392.34 0.0 0.0 0.0 0.0 0.0 73464.11333333333 31484.62 0.0 0.0 220392.34 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 168
1535 1783.111762625727 17.697111 8241.061 0.0 0.0 0.0 41205.305 0.0 41205.305 0.0 0.0 0.0 0.0 41205.305 0.0 16482.122 0.0 13735.101666666667 0.0 0.0 8241.061 8241.061 0.0 0.0 0.0 82410.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82410.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82410.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 82410.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27470.20333333333 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1539 685.5143640888539 17.983517 11079.122 0.0 0.0 0.0 0.0 55395.61 0.0 55395.61 0.0 0.0 0.0 0.0 55395.61 0.0 22158.244 18465.20333333333 0.0 0.0 11079.122 11079.122 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110791.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55395.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 55395.61 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110791.22 0.0 0.0 36930.40666666667 15827.317142857142 0.0 0.0 0.0 0.0 110791.22 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1
1543 699.5684681490458 18.215523 192737.65 0.0 963688.25 0.0 0.0 0.0 0.0 0.0 0.0 963688.25 0.0 0.0 0.0 202567.74 182907.56 0.0 963688.25 0.0 192737.65 192737.65 0.0 1012838.7 0.0 0.0 0.0 0.0 914537.8 0.0 0.0 0.0 0.0 963688.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 963688.25 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1012838.7 0.0 0.0 0.0 0.0 914537.8 0.0 0.0 0.0 0.0 337612.9 304845.93333333335 130648.25714285715 0.0 0.0 914537.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 51
1542 694.6132300516776 18.223358 628898.17 0.0 3144490.85 0.0 0.0 0.0 0.0 0.0 0.0 3144490.85 0.0 0.0 0.0 636803.04 620993.3 0.0 3144490.85 0.0 628898.17 628898.17 0.0 3184015.2 0.0 0.0 0.0 0.0 3104966.5 0.0 0.0 0.0 0.0 3144490.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3144490.85 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3184015.2 0.0 0.0 0.0 0.0 3104966.5 0.0 0.0 0.0 0.0 1061338.4 1034988.8333333334 443566.6428571429 0.0 0.0 3104966.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54
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226541.75
0.0
90616.7
75513.91666666667
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45308.35
45308.35
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453083.5
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226541.75
0.0
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226541.75
0.0
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0.0
0.0
0.0
0.0
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453083.5
0.0
0.0
151027.83333333334
64726.21428571428
0.0
0.0
0.0
0.0
453083.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
636.2185
4.28
4.28
0
172
70345.31
0.0
0.0
0.0
351726.55
0.0
351726.55
0.0
0.0
0.0
0.0
351726.55
0.0
0.0
140690.62
117242.18333333332
0.0
0.0
70345.31
70345.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
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703453.1
0.0
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0.0
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351726.55
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351726.55
0.0
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0.0
0.0
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703453.1
0.0
0.0
234484.36666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
291.0231
7.5
7.5
0
34
32607.833
0.0
163039.165
0.0
0.0
0.0
0.0
0.0
0.0
163039.165
0.0
0.0
0.0
31290.390000000003
33925.276
0.0
163039.165
0.0
32607.833
32607.833
0.0
156451.95
0.0
0.0
0.0
0.0
169626.38
0.0
0.0
0.0
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163039.165
0.0
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163039.165
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0.0
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156451.95
0.0
0.0
0.0
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169626.38
0.0
0.0
0.0
0.0
52150.65
56542.12666666667
24232.34
0.0
0.0
169626.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
568.478
14.76
14.76
0
23
40994.301
0.0
204971.505
0.0
0.0
0.0
0.0
0.0
0.0
204971.505
0.0
0.0
0.0
60389.25600000001
21599.346
0.0
204971.505
0.0
40994.301
40994.301
0.0
301946.28
0.0
0.0
0.0
0.0
107996.73
0.0
0.0
0.0
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204971.505
0.0
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204971.505
0.0
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0.0
0.0
0.0
301946.28
0.0
0.0
0.0
0.0
107996.73
0.0
0.0
0.0
0.0
100648.76
35998.91
15428.104285714286
0.0
0.0
107996.73
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
185.1285
4.07
4.07
0
40
ReSpect:PM014403 Cyclo(Ala-Leu)
C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1
107708.9
0.0
538544.5
0.0
0.0
0.0
0.0
0.0
0.0
538544.5
0.0
0.0
0.0
0.0
215417.8
0.0
538544.5
0.0
107708.9
107708.9
0.0
0.0
0.0
0.0
0.0
0.0
1077089.0
0.0
0.0
0.0
0.0
538544.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
538544.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1077089.0
0.0
0.0
0.0
0.0
0.0
359029.6666666667
153869.85714285713
0.0
0.0
1077089.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
279.1703
4.88
4.88
0
7
Spectral Match to Phe-Leu from NIST14
nan
nan
15174.588
0.0
0.0
0.0
75872.94
0.0
75872.94
0.0
0.0
0.0
0.0
75872.94
0.0
0.0
30349.176
25290.98
0.0
0.0
15174.588
15174.588
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
151745.88
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
75872.94
0.0
0.0
0.0
0.0
0.0
0.0
0.0
75872.94
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
151745.88
0.0
0.0
50581.96
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
669.4697
14.82
14.82
0
155
81148.704
153480.42
0.0
0.0
252263.1
0.0
252263.1
0.0
153480.42
0.0
0.0
252263.1
0.0
162297.408
0.0
135247.84
0.0
0.0
81148.704
81148.704
306960.84
0.0
0.0
504526.2
0.0
0.0
0.0
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306960.84
0.0
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504526.2
0.0
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306960.84
0.0
0.0
504526.2
0.0
0.0
0.0
0.0
306960.84
0.0
0.0
504526.2
0.0
0.0
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0.0
0.0
0.0
76740.21
168175.4
0.0
43851.548571428575
102320.28
0.0
0.0
0.0
0.0
153480.42
0.0
0.0
306960.84
0.0
0.0
0.0
419.19
4.72
4.72
0
210
59893.43000000001
0.0
0.0
299467.15
0.0
0.0
0.0
0.0
0.0
0.0
299467.15
0.0
0.0
119786.86000000002
0.0
0.0
0.0
299467.15
59893.43000000001
59893.43000000001
0.0
0.0
598934.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
598934.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
598934.3
0.0
0.0
0.0
0.0
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598934.3
0.0
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0.0
0.0
0.0
0.0
0.0
149733.575
0.0
0.0
85562.04285714286
0.0
598934.3
0.0
0.0
0.0
0.0
598934.3
0.0
0.0
598934.3
0.0
0.0
448.2845
11.61
11.61
0
89
12470.0984
0.0
0.0
0.0
62350.492
0.0
62350.492
0.0
0.0
0.0
0.0
62350.492
0.0
0.0
24940.1968
20783.497333333333
0.0
0.0
12470.0984
12470.0984
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
124700.984
0.0
0.0
0.0
0.0
0.0
0.0
0.0
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62350.492
0.0
0.0
0.0
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0.0
0.0
0.0
62350.492
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
124700.984
0.0
0.0
41566.994666666666
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
340.2232
4.4
4.4
0
337
22170.678
0.0
0.0
0.0
110853.39
0.0
110853.39
0.0
0.0
0.0
0.0
110853.39
0.0
44341.356
0.0
36951.13
0.0
0.0
22170.678
22170.678
0.0
0.0
0.0
221706.78
0.0
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221706.78
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221706.78
0.0
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0.0
0.0
0.0
0.0
0.0
221706.78
0.0
0.0
0.0
0.0
0.0
0.0
0.0
73902.26
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
448.2291
3.57
3.57
0
340
29672.38
0.0
0.0
0.0
0.0
148361.9
0.0
148361.9
0.0
0.0
0.0
0.0
148361.9
59344.76
0.0
49453.96666666667
0.0
0.0
29672.38
29672.38
0.0
0.0
0.0
0.0
296723.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
296723.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
296723.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
296723.8
0.0
0.0
0.0
0.0
0.0
74180.95
0.0
0.0
42389.11428571429
98907.93333333332
0.0
0.0
0.0
0.0
0.0
0.0
296723.8
0.0
0.0
296723.8
0.0
290.1475
2.42
2.42
0
30
150524.85
0.0
0.0
0.0
752624.25
0.0
752624.25
0.0
0.0
0.0
0.0
752624.25
0.0
301049.7
0.0
250874.75
0.0
0.0
150524.85
150524.85
0.0
0.0
0.0
1505248.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1505248.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1505248.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1505248.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
501749.5
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
338.3418
15.03
15.03
0
83
Spectral Match to 13-Docosenamide, (Z)- from NIST14
nan
nan
46268.144
0.0
0.0
231340.72
0.0
0.0
0.0
0.0
0.0
0.0
231340.72
0.0
0.0
92536.288
0.0
0.0
0.0
231340.72
46268.144
46268.144
0.0
0.0
462681.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
462681.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
462681.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
462681.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
115670.36
0.0
0.0
66097.34857142858
0.0
462681.44
0.0
0.0
0.0
0.0
462681.44
0.0
0.0
462681.44
0.0
0.0
443.3344
13.05
13.05
0
30
62814.045
0.0
0.0
0.0
208775.31
105294.915
208775.31
105294.915
0.0
0.0
0.0
208775.31
105294.915
125628.09
0.0
104690.075
0.0
0.0
62814.045
62814.045
0.0
0.0
0.0
417550.62
210589.83
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
417550.62
210589.83
0.0
0.0
0.0
0.0
0.0
0.0
417550.62
210589.83
0.0
0.0
0.0
0.0
0.0
0.0
417550.62
210589.83
0.0
0.0
0.0
0.0
0.0
52647.4575
139183.54
0.0
30084.261428571423
70196.61
0.0
0.0
0.0
0.0
0.0
0.0
210589.83
0.0
0.0
210589.83
0.0
183.0677
5.39
5.39
0
14
46625.072
233125.36
0.0
0.0
0.0
0.0
0.0
0.0
233125.36
0.0
0.0
0.0
0.0
93250.144
0.0
77708.45333333332
0.0
0.0
46625.072
46625.072
466250.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
466250.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
466250.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
466250.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
116562.68
0.0
0.0
66607.24571428572
155416.90666666665
0.0
0.0
0.0
0.0
233125.36
0.0
0.0
466250.72
0.0
0.0
0.0
243.1128
5.14
5.14
0
171
9003.103
0.0
0.0
0.0
45015.515
0.0
45015.515
0.0
0.0
0.0
0.0
45015.515
0.0
18006.206
0.0
15005.171666666669
0.0
0.0
9003.103
9003.103
0.0
0.0
0.0
90031.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
90031.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
90031.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
90031.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
30010.34333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
261.1388
11.3
11.3
0
82
Spectral Match to N,N'-Diphenyl-p-phenylenediamine from NIST14
C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
49752.25
0.0
248761.25
0.0
0.0
0.0
0.0
0.0
0.0
248761.25
0.0
0.0
0.0
99504.5
0.0
0.0
248761.25
0.0
49752.25
49752.25
0.0
497522.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
248761.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
248761.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
497522.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
165840.83333333334
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
412.157
2.08
2.08
0
257
82888.699
200284.86
0.0
150540.55
0.0
63618.085
0.0
63618.085
200284.86
0.0
150540.55
0.0
63618.085
165777.398
0.0
87967.64833333333
0.0
150540.55
82888.699
82888.699
400569.72
0.0
301081.1
0.0
127236.17
0.0
0.0
0.0
0.0
0.0
400569.72
0.0
301081.1
0.0
127236.17
0.0
0.0
0.0
400569.72
0.0
301081.1
0.0
127236.17
0.0
0.0
0.0
400569.72
0.0
301081.1
0.0
127236.17
0.0
0.0
0.0
0.0
0.0
207221.7475
0.0
0.0
118412.42714285714
175935.29666666666
301081.1
0.0
0.0
0.0
200284.86
301081.1
127236.17
400569.72
301081.1
127236.17
0.0
195.1129
2.15
2.15
0
40
16549.370000000003
0.0
0.0
0.0
0.0
82746.85
0.0
82746.85
0.0
0.0
0.0
0.0
82746.85
0.0
33098.740000000005
27582.283333333336
0.0
0.0
16549.370000000003
16549.370000000003
0.0
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165493.7
0.0
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82746.85
0.0
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82746.85
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0.0
165493.7
0.0
0.0
55164.56666666667
23641.957142857143
0.0
0.0
0.0
0.0
165493.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
342.097
4.5
4.5
0
115
21146.738
0.0
0.0
0.0
105733.69
0.0
105733.69
0.0
0.0
0.0
0.0
105733.69
0.0
42293.476
0.0
35244.56333333333
0.0
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21146.738
21146.738
0.0
0.0
0.0
211467.38
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0.0
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211467.38
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0.0
0.0
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70489.12666666666
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
500.235
3.29
3.29
0
269
258446.6
0.0
503561.8
0.0
788671.2
0.0
788671.2
0.0
0.0
503561.8
0.0
788671.2
0.0
516893.2
0.0
262890.4
503561.8
0.0
258446.6
258446.6
0.0
1007123.6
0.0
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0.0
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0.0
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0.0
0.0
0.0
503561.8
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0.0
0.0
0.0
0.0
0.0
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0.0
1577342.4
0.0
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0.0
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0.0
861488.6666666666
0.0
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0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
276.1441
0.89
0.89
0
10
55294.52
0.0
0.0
0.0
276472.6
0.0
276472.6
0.0
0.0
0.0
0.0
276472.6
0.0
110589.04
0.0
92157.53333333333
0.0
0.0
55294.52
55294.52
0.0
0.0
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552945.2
0.0
0.0
0.0
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0.0
0.0
0.0
0.0
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552945.2
0.0
0.0
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552945.2
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184315.06666666665
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
259.1903
14.86
14.86
0
123
Spectral Match to Dibutyl adipate from NIST14
nan
nan
25962.44
0.0
0.0
0.0
129812.2
0.0
129812.2
0.0
0.0
0.0
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129812.2
0.0
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43270.73333333333
0.0
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25962.44
25962.44
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86541.46666666666
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407.2355
14.46
14.46
0
75
13621.503
0.0
0.0
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0.0
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0.0
68107.515
0.0
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0.0
68107.515
13621.503
13621.503
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0.0
136215.03
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0.0
34053.7575
0.0
0.0
19459.29
0.0
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0.0
0.0
0.0
0.0
136215.03
0.0
0.0
136215.03
0.0
0.0
892.616
14.88
14.88
0
261
13904.347
0.0
0.0
69521.735
0.0
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69521.735
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27808.694
0.0
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0.0
69521.735
13904.347
13904.347
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0.0
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34760.8675
0.0
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19863.352857142854
0.0
139043.47
0.0
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0.0
139043.47
0.0
0.0
139043.47
0.0
0.0
790.4955
10.93
10.93
0
19
10841.57
0.0
0.0
0.0
54207.85
0.0
54207.85
0.0
0.0
0.0
0.0
54207.85
0.0
21683.14
0.0
18069.283333333333
0.0
0.0
10841.57
10841.57
0.0
0.0
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108415.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
108415.7
0.0
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0.0
0.0
0.0
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108415.7
0.0
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0.0
0.0
0.0
108415.7
0.0
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0.0
0.0
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0.0
36138.566666666666
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
175.079
5.39
5.39
0
14
82121.285
228318.14
59061.075
0.0
68486.15
54741.06
68486.15
54741.06
228318.14
59061.075
0.0
68486.15
54741.06
0.0
164242.57
117181.78333333334
59061.075
0.0
82121.285
82121.285
0.0
0.0
0.0
0.0
0.0
456636.28
118122.15
0.0
136972.3
109482.12
0.0
59061.075
0.0
0.0
0.0
456636.28
0.0
123227.21
0.0
59061.075
0.0
0.0
0.0
456636.28
0.0
123227.21
0.0
0.0
0.0
0.0
0.0
456636.28
118122.15
0.0
136972.3
109482.12
114159.07
45657.43333333333
75868.09
97748.65
152212.09333333335
0.0
118122.15
0.0
109482.12
228318.14
0.0
0.0
0.0
0.0
0.0
456636.28
312.1916
0.89
0.89
0
337
Val-pro-pro
CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
"InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1"
104320.959
0.0
274442.78
0.0
131167.4
115994.615
131167.4
115994.615
0.0
274442.78
0.0
131167.4
115994.615
0.0
208641.918
82387.33833333333
274442.78
0.0
104320.959
104320.959
0.0
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0.0
0.0
548885.56
0.0
262334.8
231989.23
0.0
274442.78
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231989.23
0.0
87444.93333333333
260291.59666666668
111553.54142857144
0.0
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0.0
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0.0
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0.0
0.0
0.0
197.1285
3.51
3.51
0
40
cyclo(L-Val-L-Pro)
CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
98409.92
0.0
492049.6
0.0
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0.0
0.0
0.0
0.0
492049.6
0.0
0.0
0.0
0.0
196819.84
0.0
492049.6
0.0
98409.92
98409.92
0.0
0.0
0.0
0.0
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984099.2
0.0
0.0
0.0
0.0
492049.6
0.0
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0.0
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0.0
328033.06666666665
140585.6
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984099.2
0.0
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363.126
1.24
1.24
0
115
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0.0
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0.0
0.0
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0.0
30312.54
0.0
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15156.27
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764.6554
15.25
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0
57
58932.825
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117865.65
68333.88333333333
89662.475
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136667.76666666666
59774.98333333334
25617.85
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179324.95
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0.0
0.0
0.0
0.0
215.139
1.26
1.26
0
50
29551.261
0.0
147756.305
0.0
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147756.305
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29352.356
29750.166
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48920.59333333333
49583.60999999999
21250.11857142857
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0.0
0.0
677.5866
18.23
18.23
0
54
9711.9
0.0
48559.5
0.0
0.0
0.0
0.0
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48559.5
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19423.8
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48559.5
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97119.0
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32373.0
13874.142857142857
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97119.0
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0.0
0.0
0.0
0.0
638.5718
16.27
16.27
0
36
DG(18:0/18:2/0:0); [M+NH4]+ C39H76N1O5
nan
nan
185363.9
0.0
926819.5
0.0
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0.0
0.0
214.9177
0.63
0.63
0
75
(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-dodecahydronaphtho[2,3-b]furan-2-one
C[C@](CCC1)(C[C@@H]([C@@H](C2)C3=C)OC3=O)[C@H]2C1=C
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m1/s1
44056.022
0.0
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676.5851
16.32
16.32
0
308
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843144.5900000001
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14492659.0
0.0
16270803.0
0.0
0.0
0.0
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10254487.333333334
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0.0
0.0
0.0
0.0
0.0
0.0
245.1283
5.38
5.38
0
40
Spectral Match to Phe-Pro from NIST14
nan
nan
20592.383
0.0
0.0
0.0
0.0
102961.915
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29417.69
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205923.83
0.0
0.0
205923.83
0.0
239.0582
4.62
4.62
0
5
isoetharine
CCC(NC(C)C)C(O)c1cc(O)c(O)cc1
"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3"
306576.245
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310429.72000000003
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306576.245
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941.5099
8.81
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62
NCGC00385557-01_C48H76O18_
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
66481.33
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130234.05
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329.1728
8.77
8.77
0
30
80202.156
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284.2948
14.54
14.54
0
30
Spectral Match to Octadecanamide from NIST14
CCCCCCCCCCCCCCCCCC(=O)N
InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
38025.23
190126.15
0.0
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190126.15
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76050.45999999999
63375.38333333333
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380252.3
279.1338
1.67
1.67
0
50
Spectral Match to Tyr-Pro from NIST14
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)O
InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20)/t11-,12-/m0/s1
12538.92
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0.0
0.0
284341.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
284341.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
284341.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
284341.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
94780.6
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
281.0511
13.23
13.23
0
119
Spectral Match to Cyclotetrasiloxane, octamethyl- from NIST14
nan
nan
15430.366
0.0
77151.83
0.0
0.0
0.0
0.0
0.0
0.0
77151.83
0.0
0.0
0.0
30860.732
0.0
0.0
77151.83
0.0
15430.366
15430.366
0.0
154303.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
77151.83
0.0
0.0
0.0
0.0
0.0
0.0
0.0
77151.83
0.0
0.0
0.0
0.0
0.0
0.0
0.0
154303.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
51434.55333333334
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
556.3275
15.33
15.33
0
263
11140.166
55700.83
0.0
0.0
0.0
0.0
0.0
0.0
55700.83
0.0
0.0
0.0
0.0
22280.332
0.0
18566.943333333333
0.0
0.0
11140.166
11140.166
111401.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
111401.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
111401.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
111401.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
27850.415
0.0
0.0
15914.522857142858
37133.886666666665
0.0
0.0
0.0
0.0
55700.83
0.0
0.0
111401.66
0.0
0.0
0.0
719.3377
5.58
5.58
0
38
358467.48
0.0
1792337.4
0.0
0.0
0.0
0.0
0.0
0.0
1792337.4
0.0
0.0
0.0
0.0
716934.96
0.0
1792337.4
0.0
358467.48
358467.48
0.0
0.0
0.0
0.0
0.0
0.0
3584674.8
0.0
0.0
0.0
0.0
1792337.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1792337.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
3584674.8
0.0
0.0
0.0
0.0
0.0
1194891.6
512096.4
0.0
0.0
3584674.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
371.3153
14.88
14.88
0
123
Spectral Match to Hexanedioic acid, bis(2-ethylhexyl) ester from NIST14
nan
nan
19636.922
0.0
98184.61
0.0
0.0
0.0
0.0
0.0
0.0
98184.61
0.0
0.0
0.0
39273.844
0.0
0.0
98184.61
0.0
19636.922
19636.922
0.0
196369.22
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
98184.61
0.0
0.0
0.0
0.0
0.0
0.0
0.0
98184.61
0.0
0.0
0.0
0.0
0.0
0.0
0.0
196369.22
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
65456.40666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
352.1866
3.47
3.47
0
207
37073.1514
0.0
48145.492
0.0
0.0
137220.265
0.0
137220.265
0.0
48145.492
0.0
0.0
137220.265
54888.10600000001
19258.1968
45740.08833333334
48145.492
0.0
37073.1514
37073.1514
0.0
0.0
0.0
0.0
274440.53
0.0
96290.984
0.0
0.0
0.0
0.0
48145.492
0.0
0.0
274440.53
0.0
0.0
0.0
0.0
48145.492
0.0
0.0
274440.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
274440.53
0.0
96290.984
0.0
0.0
0.0
68610.1325
0.0
32096.994666666666
52961.64485714286
91480.17666666668
0.0
96290.984
0.0
0.0
0.0
0.0
274440.53
0.0
0.0
274440.53
0.0
556.4415
12.47
12.47
0
23
114884.506
0.0
574422.53
0.0
0.0
0.0
0.0
0.0
0.0
574422.53
0.0
0.0
0.0
118405.412
111363.6
0.0
574422.53
0.0
114884.506
114884.506
0.0
592027.06
0.0
0.0
0.0
0.0
556818.0
0.0
0.0
0.0
0.0
574422.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
574422.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
592027.06
0.0
0.0
0.0
0.0
556818.0
0.0
0.0
0.0
0.0
197342.35333333336
185606.0
79545.42857142857
0.0
0.0
556818.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
640.5357
15.05
15.05
0
23
56923.84099999999
0.0
284619.205
0.0
0.0
0.0
0.0
0.0
0.0
284619.205
0.0
0.0
0.0
61220.35
52627.332
0.0
284619.205
0.0
56923.84099999999
56923.84099999999
0.0
306101.75
0.0
0.0
0.0
0.0
263136.66
0.0
0.0
0.0
0.0
284619.205
0.0
0.0
0.0
0.0
0.0
0.0
0.0
284619.205
0.0
0.0
0.0
0.0
0.0
0.0
0.0
306101.75
0.0
0.0
0.0
0.0
263136.66
0.0
0.0
0.0
0.0
102033.91666666669
87712.21999999999
37590.95142857143
0.0
0.0
263136.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
623.4237
15.62
15.62
0
54
52950.571
0.0
264752.855
0.0
0.0
0.0
0.0
0.0
0.0
264752.855
0.0
0.0
0.0
51859.51
54041.632
0.0
264752.855
0.0
52950.571
52950.571
0.0
259297.55
0.0
0.0
0.0
0.0
270208.16
0.0
0.0
0.0
0.0
264752.855
0.0
0.0
0.0
0.0
0.0
0.0
0.0
264752.855
0.0
0.0
0.0
0.0
0.0
0.0
0.0
259297.55
0.0
0.0
0.0
0.0
270208.16
0.0
0.0
0.0
0.0
86432.51666666666
90069.38666666666
38601.16571428571
0.0
0.0
270208.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
540.4467
13.7
13.7
0
23
13557.597
0.0
0.0
0.0
0.0
67787.985
0.0
67787.985
0.0
0.0
0.0
0.0
67787.985
27115.194
0.0
22595.995
0.0
0.0
13557.597
13557.597
0.0
0.0
0.0
0.0
135575.97
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
135575.97
0.0
0.0
0.0
0.0
0.0
0.0
0.0
135575.97
0.0
0.0
0.0
0.0
0.0
0.0
0.0
135575.97
0.0
0.0
0.0
0.0
0.0
33893.9925
0.0
0.0
19367.995714285717
45191.99
0.0
0.0
0.0
0.0
0.0
0.0
135575.97
0.0
0.0
135575.97
0.0
236.1622
7.67
7.67
0
30
18955.119
0.0
0.0
94775.595
0.0
0.0
0.0
0.0
0.0
0.0
94775.595
0.0
0.0
37910.238
0.0
0.0
0.0
94775.595
18955.119
18955.119
0.0
0.0
189551.19
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
189551.19
0.0
0.0
0.0
0.0
0.0
0.0
0.0
189551.19
0.0
0.0
0.0
0.0
0.0
0.0
0.0
189551.19
0.0
0.0
0.0
0.0
0.0
0.0
0.0
47387.7975
0.0
0.0
27078.74142857143
0.0
189551.19
0.0
0.0
0.0
0.0
189551.19
0.0
0.0
189551.19
0.0
0.0
166.05
1.19
1.19
0
115
Spectral Match to Phthalic anhydride from NIST14
nan
nan
10055.674
50278.37
0.0
0.0
0.0
0.0
0.0
0.0
50278.37
0.0
0.0
0.0
0.0
0.0
20111.348
16759.45666666667
0.0
0.0
10055.674
10055.674
0.0
0.0
0.0
0.0
0.0
100556.74
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
100556.74
0.0
0.0
0.0
0.0
0.0
0.0
0.0
100556.74
0.0
0.0
0.0
0.0
0.0
0.0
0.0
100556.74
0.0
0.0
0.0
0.0
25139.185
0.0
0.0
14365.248571428572
33518.91333333334
0.0
0.0
0.0
0.0
50278.37
0.0
0.0
0.0
0.0
0.0
100556.74
433.3017
1.34
1.34
0
7
Spectral Match to Val-Val from NIST14
nan
nan
44725.053
0.0
0.0
223625.265
0.0
0.0
0.0
0.0
0.0
0.0
223625.265
0.0
0.0
89450.106
0.0
0.0
0.0
223625.265
44725.053
44725.053
0.0
0.0
447250.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
447250.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
447250.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
447250.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
111812.6325
0.0
0.0
63892.93285714286
0.0
447250.53
0.0
0.0
0.0
0.0
447250.53
0.0
0.0
447250.53
0.0
0.0
749.4451
13.27
13.27
0
15
102609.668
95970.75
0.0
0.0
134714.56
282363.03
134714.56
282363.03
95970.75
0.0
0.0
134714.56
282363.03
205219.336
0.0
171016.11333333334
0.0
0.0
102609.668
102609.668
191941.5
0.0
0.0
269429.12
564726.06
0.0
0.0
0.0
0.0
0.0
191941.5
0.0
0.0
269429.12
564726.06
0.0
0.0
0.0
191941.5
0.0
0.0
269429.12
564726.06
0.0
0.0
0.0
191941.5
0.0
0.0
269429.12
564726.06
0.0
0.0
0.0
0.0
0.0
189166.89
89809.70666666667
0.0
108095.36571428573
252222.52
0.0
0.0
0.0
0.0
95970.75
0.0
564726.06
191941.5
0.0
564726.06
0.0
341.2661
12.69
12.69
0
30
69475.43100000001
0.0
347377.155
0.0
0.0
0.0
0.0
0.0
0.0
347377.155
0.0
0.0
0.0
67536.712
71414.15
0.0
347377.155
0.0
69475.43100000001
69475.43100000001
0.0
337683.56
0.0
0.0
0.0
0.0
357070.75
0.0
0.0
0.0
0.0
347377.155
0.0
0.0
0.0
0.0
0.0
0.0
0.0
347377.155
0.0
0.0
0.0
0.0
0.0
0.0
0.0
337683.56
0.0
0.0
0.0
0.0
357070.75
0.0
0.0
0.0
0.0
112561.18666666666
119023.58333333331
51010.107142857145
0.0
0.0
357070.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
673.5554
16.96
16.96
0
54
25306.762
0.0
126533.81
0.0
0.0
0.0
0.0
0.0
0.0
126533.81
0.0
0.0
0.0
0.0
50613.524
0.0
126533.81
0.0
25306.762
25306.762
0.0
0.0
0.0
0.0
0.0
0.0
253067.62
0.0
0.0
0.0
0.0
126533.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
126533.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
253067.62
0.0
0.0
0.0
0.0
0.0
84355.87333333334
36152.51714285714
0.0
0.0
253067.62
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
352.1656
5.62
5.62
0
102
Spectral Match to Trp-Phe from NIST14
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
14292.388
0.0
71461.94
0.0
0.0
0.0
0.0
0.0
0.0
71461.94
0.0
0.0
0.0
28584.776
0.0
0.0
71461.94
0.0
14292.388
14292.388
0.0
142923.88
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
71461.94
0.0
0.0
0.0
0.0
0.0
0.0
0.0
71461.94
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142923.88
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
47641.293333333335
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
273.032
6.0
6.0
0
58
34569.306
0.0
0.0
172846.53
0.0
0.0
0.0
0.0
0.0
0.0
172846.53
0.0
0.0
69138.612
0.0
0.0
0.0
172846.53
34569.306
34569.306
0.0
0.0
345693.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345693.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345693.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345693.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
86423.265
0.0
0.0
49384.72285714286
0.0
345693.06
0.0
0.0
0.0
0.0
345693.06
0.0
0.0
345693.06
0.0
0.0
397.2562
9.27
9.27
0
38
43389.728
0.0
216948.64
0.0
0.0
0.0
0.0
0.0
0.0
216948.64
0.0
0.0
0.0
86779.456
0.0
0.0
216948.64
0.0
43389.728
43389.728
0.0
433897.28
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
216948.64
0.0
0.0
0.0
0.0
0.0
0.0
0.0
216948.64
0.0
0.0
0.0
0.0
0.0
0.0
0.0
433897.28
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
144632.42666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
334.1399
4.23
4.23
0
61
Golotimod
NC(CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O
"InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1"
68102.67
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23
L-lysine_(E) -dec-2-enoyl chloride
CCCCCCC/C=C/C(=O)NCCCC[C@H](N)C(=O)O
InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-13-10-9-11-14(17)16(20)21/h8,12,14H,2-7,9-11,13,17H2,1H3,(H,18,19)(H,20,21)/b12-8+/t14-/m0/s1
33177.82
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62
NCGC00180022-02!6-[[(3S,4S,6aR,8aR,9S,10R,12aS,14bR)-9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(O)=O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O
InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22-,23?,24?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42+,44?,45?,46?,47?,49+,50-,51+,52?,53+/m0/s1
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TG(18:2/18:2/19:1); [M+NH4]+ C58H106N1O6
nan
nan
40887.106
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4-PYRIDOXIC ACID
CC1=C(C(=C(C=N1)CO)C(=O)O)O
"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)"
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Spectral Match to Leu-Val from NIST14
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NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
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663.4534
15.68
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111
L-phenylalanine_dodecanoic acid
CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI=1S/C21H33NO3/c1-2-3-4-5-6-7-8-9-13-16-20(23)22-19(21(24)25)17-18-14-11-10-12-15-18/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1
39795.388
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694.6132
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325.2714
13.95
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30
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627927.05
164613.735
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792671.5
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792671.5
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600475.25
460.269
9.78
9.78
0
18
emorfazone
CCOc1c(N2CCOCC2)cnn(C)c1=O
"InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3"
17041.892
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34083.784
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0.0
17041.892
17041.892
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170418.92
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277.0917
1.22
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147
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596.5248
15.84
15.84
0
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22701.572
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227015.72
314.2072
2.22
2.22
0
96
22564.084
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112820.42
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61
Spectral Match to Val-Trp from NIST14
CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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145
Massbank:UA006001 L-(+)-Ergothioneine|L-Ergothioneine|5-[(2S)-2-Carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate
C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S)C(=O)[O-]
1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
31573.872
157869.36
0.0
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0.0
0.0
0.0
0.0
157869.36
0.0
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0.0
0.0
63147.74399999999
0.0
52623.12
0.0
0.0
31573.872
31573.872
315738.72
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
315738.72
0.0
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0.0
0.0
0.0
315738.72
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0.0
0.0
0.0
0.0
0.0
315738.72
0.0
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0.0
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0.0
45105.53142857143
105246.24
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0.0
0.0
0.0
157869.36
0.0
0.0
315738.72
0.0
0.0
0.0
591.4951
16.06
16.06
0
53
39020.338
0.0
0.0
0.0
0.0
195101.69
0.0
195101.69
0.0
0.0
0.0
0.0
195101.69
78040.676
0.0
65033.89666666667
0.0
0.0
39020.338
39020.338
0.0
0.0
0.0
0.0
390203.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
390203.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
390203.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
390203.38
0.0
0.0
0.0
0.0
0.0
97550.845
0.0
0.0
55743.34
130067.79333333332
0.0
0.0
0.0
0.0
0.0
0.0
390203.38
0.0
0.0
390203.38
0.0
228.1958
8.43
8.43
0
83
Vitamin E acetate
CC(=O)Oc1c(C)c2c(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2)c(C)c1C
"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1"
23590.128
0.0
0.0
117950.64
0.0
0.0
0.0
0.0
0.0
0.0
117950.64
0.0
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47180.256
0.0
0.0
0.0
117950.64
23590.128
23590.128
0.0
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235901.28
0.0
0.0
918.6444
14.9
14.9
0
19
172880.72
0.0
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864403.6
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345761.44
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864403.6
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172880.72
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0.0
0.0
0.0
0.0
0.0
0.0
245.1859
4.34
4.34
0
7
Spectral Match to Ile-Leu from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1
84804.99
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52070.825
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52070.825
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104141.65
0.0
0.0
261.1236
4.47
4.47
0
40
cyclo(Phe-4-Hyp)
nan
nan
30244.466
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151222.33
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151222.33
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930.7752
16.13
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0
87
19318.627
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379.1534
4.43
4.43
0
257
365520.712
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0.0
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0.0
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0.0
0.0
294.1547
0.9
0.9
0
10
Massbank:PR310824 N-Fructosyl isoleucine
O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC
1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)
112896.83
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670.468
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261.1445
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61
Massbank:MT000016 gamma-Glutamylleucine
CC(C)CC(C(O)=O)NC(=O)CCC(N)C(O)=O
1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
31822.23
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cyclo(L-Leu-L-4-hydroxy-Pro)
nan
nan
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1001.7043
15.82
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634.452
12.09
12.09
0
90
Nonoxynol-9
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3"
147974.2
303120.03
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147974.2
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202080.02
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606240.06
0.0
0.0
0.0
276.144
1.18
1.18
0
10
Massbank:PR310825 N-Fructosyl isoleucine
O=C(O)C(NCC1(O)(OC(CO)C(O)C1(O)))C(C)CC
1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)
9449.772
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702.2128
14.73
14.73
0
42
Contaminant vial septum ThermoFisher C5000-44B
299174.537
0.0
819307.535
160471.4
410955.28
105138.47
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16.57
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11.3
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354410.16
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184.0951
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536.2813
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415.1509
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423.3256
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785.5886
15.67
15.67
0
39
Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
40154.497
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200772.485
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80308.99399999999
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758.5053
14.75
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45
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490.2758
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656.5306
14.73
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23
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391.2841
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123
DEHP CollisionEnergy:205060
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3"
685840.05
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1143066.75
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175.1189
0.66
0.66
0
217
Arginine
C(CC(C(=O)O)N)CN=C(N)N
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
448363.58
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18
nemiralisib
CC(C)N1CCN(Cc2cnc(-c3c4cn[nH]c4cc(-c4c5cc[nH]c5ccc4)c3)o2)CC1
"InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)"
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rhaponticin
COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
"1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1"
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9
TG(14:0/16:0/17:0); [M+NH4]+ C50H100N1O6
nan
nan
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Germicidin D
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Spectral Match to DL-Indole-3-lactic acid from NIST14
nan
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NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]
CC1CC(=O)C2=C(CCC3(O)C(O)C4=C(C=CC=C4O)C(=O)C23)C1
InChI=1S/C19H20O5/c1-9-7-10-5-6-19(24)16(14(10)13(21)8-9)17(22)11-3-2-4-12(20)15(11)18(19)23/h2-4,9,16,18,20,23-24H,5-8H2,1H3
124694.856
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142196.784
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146
"GLYCYRRHETINIC ACID, 18a-2"
CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)"
77567.4
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277.1028
0.76
0.76
0
61
Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14
nan
nan
82625.546
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212.103
1.16
1.16
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17
3-Chloro-L-tyrosine - 30.0 eV
c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O
InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
639085.8400000001
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0.0
0.0
0.0
0.0
0.0
76758.905
0.0
0.0
30703.562
0.0
0.0
0.0
76758.905
15351.781
15351.781
0.0
0.0
153517.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
153517.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
153517.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
153517.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
38379.4525
0.0
0.0
21931.11571428572
0.0
153517.81
0.0
0.0
0.0
0.0
153517.81
0.0
0.0
153517.81
0.0
0.0
273.1387
14.01
14.01
0
82
27726.944
0.0
0.0
0.0
0.0
138634.72
0.0
138634.72
0.0
0.0
0.0
0.0
138634.72
0.0
55453.888
46211.57333333333
0.0
0.0
27726.944
27726.944
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
277269.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
138634.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
138634.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
277269.44
0.0
0.0
92423.14666666668
39609.92
0.0
0.0
0.0
0.0
277269.44
0.0
0.0
0.0
0.0
0.0
0.0
0.0
567.1973
4.94
4.94
0
115
Cer(d18:0/18:0); [M+H]+ C36H74N1O3
nan
nan
55668.43000000001
0.0
278342.15
0.0
0.0
0.0
0.0
0.0
0.0
278342.15
0.0
0.0
0.0
111336.86000000002
0.0
0.0
278342.15
0.0
55668.43000000001
55668.43000000001
0.0
556684.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
278342.15
0.0
0.0
0.0
0.0
0.0
0.0
0.0
278342.15
0.0
0.0
0.0
0.0
0.0
0.0
0.0
556684.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
185561.43333333332
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
201.0083
0.0
0.0
0
32
165993.945
232736.625
0.0
0.0
597233.1
0.0
597233.1
0.0
232736.625
0.0
0.0
597233.1
0.0
331987.89
0.0
276656.575
0.0
0.0
165993.945
165993.945
465473.25
0.0
0.0
1194466.2
0.0
0.0
0.0
0.0
0.0
0.0
465473.25
0.0
0.0
1194466.2
0.0
0.0
0.0
0.0
465473.25
0.0
0.0
1194466.2
0.0
0.0
0.0
0.0
465473.25
0.0
0.0
1194466.2
0.0
0.0
0.0
0.0
0.0
0.0
116368.3125
398155.4
0.0
66496.17857142857
155157.75
0.0
0.0
0.0
0.0
232736.625
0.0
0.0
465473.25
0.0
0.0
0.0
356.1451
1.7
1.7
0
88
Ornithine-C15:1
O=C(NC(CCCN)C(O)=O)CCCCCCCCC=CCCCC
InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)22-18(20(24)25)15-14-17-21/h5-6,18H,2-4,7-17,21H2,1H3,(H,22,23)(H,24,25)
85841.118
0.0
429205.59
0.0
0.0
0.0
0.0
0.0
0.0
429205.59
0.0
0.0
0.0
53076.35600000001
118605.88
0.0
429205.59
0.0
85841.118
85841.118
0.0
265381.78
0.0
0.0
0.0
0.0
593029.4
0.0
0.0
0.0
0.0
429205.59
0.0
0.0
0.0
0.0
0.0
0.0
0.0
429205.59
0.0
0.0
0.0
0.0
0.0
0.0
0.0
265381.78
0.0
0.0
0.0
0.0
593029.4
0.0
0.0
0.0
0.0
88460.59333333334
197676.46666666667
84718.48571428572
0.0
0.0
593029.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170.0811
0.83
0.83
0
115
pyridoxamine
Cc1ncc(CO)c(CN)c1O
"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3"
65345.8
0.0
0.0
0.0
326729.0
0.0
326729.0
0.0
0.0
0.0
0.0
326729.0
0.0
130691.6
0.0
108909.66666666669
0.0
0.0
65345.8
65345.8
0.0
0.0
0.0
653458.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
653458.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
653458.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
653458.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
217819.3333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
350.1347
6.15
6.15
0
1
104471.334
0.0
0.0
0.0
522356.67
0.0
522356.67
0.0
0.0
0.0
0.0
522356.67
0.0
155486.58000000002
53456.088
174118.89
0.0
0.0
104471.334
104471.334
0.0
0.0
0.0
777432.9
0.0
0.0
0.0
0.0
267280.44
0.0
0.0
0.0
0.0
777432.9
0.0
0.0
0.0
133640.22
0.0
0.0
0.0
777432.9
0.0
0.0
0.0
133640.22
0.0
0.0
0.0
777432.9
0.0
0.0
0.0
0.0
267280.44
0.0
0.0
348237.78
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
391.1576
3.97
3.97
0
30
21778.616
0.0
0.0
0.0
108893.08
0.0
108893.08
0.0
0.0
0.0
0.0
108893.08
0.0
0.0
43557.232
36297.693333333336
0.0
0.0
21778.616
21778.616
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
217786.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
108893.08
0.0
0.0
0.0
0.0
0.0
0.0
0.0
108893.08
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
217786.16
0.0
0.0
72595.38666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
917.7202
16.56
16.56
0
155
13821.153
69105.765
0.0
0.0
0.0
0.0
0.0
0.0
69105.765
0.0
0.0
0.0
0.0
0.0
27642.306
23035.255
0.0
0.0
13821.153
13821.153
0.0
0.0
0.0
0.0
0.0
138211.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
138211.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
138211.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
138211.53
0.0
0.0
0.0
0.0
34552.8825
0.0
0.0
19744.504285714287
46070.51
0.0
0.0
0.0
0.0
69105.765
0.0
0.0
0.0
0.0
0.0
138211.53
461.333
1.98
1.98
0
7
Spectral Match to Leu-Val from NIST14
nan
nan
23980.65
0.0
46549.35
0.0
73353.9
0.0
73353.9
0.0
0.0
46549.35
0.0
73353.9
0.0
47961.3
0.0
24451.3
46549.35
0.0
23980.65
23980.65
0.0
93098.7
0.0
146707.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
46549.35
0.0
146707.8
0.0
0.0
0.0
0.0
0.0
46549.35
0.0
146707.8
0.0
0.0
0.0
0.0
0.0
93098.7
0.0
146707.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
79935.5
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
702.2133
14.18
14.18
0
42
Contaminant vial septum ThermoFisher C5000-44B
20140.71
0.0
0.0
0.0
100703.55
0.0
100703.55
0.0
0.0
0.0
0.0
100703.55
0.0
40281.42
0.0
33567.85
0.0
0.0
20140.71
20140.71
0.0
0.0
0.0
201407.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
201407.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
201407.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
201407.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
67135.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
459.2215
5.01
5.01
0
210
13167.977
0.0
0.0
0.0
65839.885
0.0
65839.885
0.0
0.0
0.0
0.0
65839.885
0.0
26335.954
0.0
21946.62833333333
0.0
0.0
13167.977
13167.977
0.0
0.0
0.0
131679.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
131679.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
131679.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
131679.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
43893.25666666666
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
391.2245
14.18
14.18
0
75
7084.694
0.0
35423.47
0.0
0.0
0.0
0.0
0.0
0.0
35423.47
0.0
0.0
0.0
0.0
14169.388
0.0
35423.47
0.0
7084.694
7084.694
0.0
0.0
0.0
0.0
0.0
0.0
70846.94
0.0
0.0
0.0
0.0
35423.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
35423.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
70846.94
0.0
0.0
0.0
0.0
0.0
23615.646666666667
10120.99142857143
0.0
0.0
70846.94
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
265.1547
3.49
3.49
0
7
Spectral Match to Phe-Val from NIST14
nan
nan
626073.6
0.0
0.0
1499238.0
0.0
1631130.0
0.0
1631130.0
0.0
0.0
1499238.0
0.0
1631130.0
1252147.2
0.0
543710.0
0.0
1499238.0
626073.6
626073.6
0.0
0.0
2998476.0
0.0
3262260.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2998476.0
0.0
3262260.0
0.0
0.0
0.0
0.0
0.0
2998476.0
0.0
3262260.0
0.0
0.0
0.0
0.0
0.0
2998476.0
0.0
3262260.0
0.0
0.0
0.0
0.0
0.0
1565184.0
0.0
0.0
894390.8571428572
1087420.0
2998476.0
0.0
0.0
0.0
0.0
2998476.0
3262260.0
0.0
2998476.0
3262260.0
0.0
457.2771
11.29
11.29
0
30
32418.275
0.0
0.0
0.0
162091.375
0.0
162091.375
0.0
0.0
0.0
0.0
162091.375
0.0
64836.55
0.0
54030.458333333336
0.0
0.0
32418.275
32418.275
0.0
0.0
0.0
324182.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
324182.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
324182.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
324182.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
108060.91666666669
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
590.2931
5.39
5.39
0
1
212455.445
0.0
162686.22999999998
170485.59000000003
0.0
729105.405
0.0
729105.405
0.0
162686.22999999998
170485.59000000003
0.0
729105.405
240761.264
184149.626
243035.135
162686.22999999998
170485.59000000003
212455.445
212455.445
0.0
158881.56
155627.2
0.0
889297.56
0.0
166490.9
185343.98
0.0
568913.25
0.0
162686.22999999998
155627.2
0.0
889297.56
0.0
185343.98
284456.625
0.0
162686.22999999998
155627.2
0.0
889297.56
0.0
185343.98
284456.625
0.0
158881.56
155627.2
0.0
889297.56
0.0
166490.9
185343.98
0.0
568913.25
261231.19
52960.52
306916.04333333333
280810.41285714286
296432.52
155627.2
166490.9
185343.98
568913.25
0.0
155627.2
889297.56
0.0
155627.2
889297.56
0.0
213.1233
0.89
0.89
0
40
69554.03
0.0
0.0
0.0
347770.15
0.0
347770.15
0.0
0.0
0.0
0.0
347770.15
0.0
139108.06
0.0
115923.38333333336
0.0
0.0
69554.03
69554.03
0.0
0.0
0.0
695540.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
695540.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
695540.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
695540.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
231846.7666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
274.1467
11.82
11.82
0
82
11031.167
55155.835
0.0
0.0
0.0
0.0
0.0
0.0
55155.835
0.0
0.0
0.0
0.0
0.0
22062.334
18385.27833333333
0.0
0.0
11031.167
11031.167
0.0
0.0
0.0
0.0
0.0
110311.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110311.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110311.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110311.67
0.0
0.0
0.0
0.0
27577.9175
0.0
0.0
15758.81
36770.55666666666
0.0
0.0
0.0
0.0
55155.835
0.0
0.0
0.0
0.0
0.0
110311.67
371.2288
3.89
3.89
0
96
21849.362
0.0
109246.81
0.0
0.0
0.0
0.0
0.0
0.0
109246.81
0.0
0.0
0.0
0.0
43698.724
0.0
109246.81
0.0
21849.362
21849.362
0.0
0.0
0.0
0.0
0.0
0.0
218493.62
0.0
0.0
0.0
0.0
109246.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
109246.81
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
218493.62
0.0
0.0
0.0
0.0
0.0
72831.20666666667
31213.37428571429
0.0
0.0
218493.62
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
824.7703
16.56
16.56
0
9
TG(16:0/16:0/16:0); [M+NH4]+ C51H102N1O6
nan
nan
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7
Spectral Match to Ile-Leu from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1
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9
DAG (16:0/16:0)
nan
nan
14138.895
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319.0369
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784.5851
15.67
15.67
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39
Spectral Match to Arachidonoylthio-PC from NIST14
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC
InChI=1S/C44H82NO6PS/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)53-43(42-51-52(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
34536.572
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330.2387
4.6
4.6
0
129
Spectral Match to Thr-Val-Leu from NIST14
nan
nan
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Massbank:PR304289 Soyasaponin Ba
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1
1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)
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18
DEOXYCHOLATE
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
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217
"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE"
C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N
"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1"
32504.864
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Val-pro-pro
CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
"InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1"
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O=C1C(=COC2=CC(O)=C(OC)C=C12)C=3C=CC(O)=CC3
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Massbank:PR300811 Cyclo(proline-leucine)
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1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
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Stachyose CollisionEnergy:102040
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
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Lithocholyl_Pyrrolidine_NCE45
O[C@@H]1CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])[C@@H](CCC(N5CCCC5)=O)C)C)[H])C
InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1
12335.8914
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9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
CC(CCC1)C(C)(CC2=C3C)C1CC2(O)OC3=O
InChI=1S/C15H22O3/c1-9-5-4-6-11-7-15(17)12(8-14(9,11)3)10(2)13(16)18-15/h9,11,17H,4-8H2,1-3H3
10650.4625
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42
Contaminant vial septum ThermoFisher C5000-44B
43663.562
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115081.68
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329.0807
5.4
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355
19009.155
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289.1775
10.16
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0
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27370.953
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650.4257
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656.3137
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980.7129
15.14
15.14
0
134
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0.0
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0.0
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284.1395
5.61
5.61
0
222
cyclo(D-Trp-L-Pro)
nan
nan
195529.81
0.0
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1955298.1
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651766.0333333333
279328.3
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1955298.1
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341.1374
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3866338.75
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2962453.5
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0.0
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5350085.3
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5924907.0
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2735473.25
7732677.5
5924907.0
5470946.5
7732677.5
5924907.0
0.0
235.1189
0.85
0.85
0
40
Spectral Match to His-Pro from NIST14
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O
InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1
42221.294
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290.171
0.87
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197
102319.978
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590.4258
12.12
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0
90
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455.2133
3.55
3.55
0
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133014.3
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357.2635
9.26
9.26
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231
2-octyltridecanedioic acid CollisionEnergy:205060
CCCCCCCCC(CCCCCCCCCCC(=O)O)C(=O)O
"InChI=1S/C21H40O4/c1-2-3-4-5-10-13-16-19(21(24)25)17-14-11-8-6-7-9-12-15-18-20(22)23/h19H,2-18H2,1H3,(H,22,23)(H,24,25)"
10036.387
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559.1311
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30
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640.4502
15.62
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10989.2266
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273.1385
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0
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2744628.2800000003
380434.4
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1268163.5
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2643284.5
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6282391.25
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760868.8
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255.0651
6.62
6.62
0
34
Daidzein - 40.0 eV
c1cc(ccc1c2coc3cc(ccc3c2=O)O)O
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
18820.74
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30097.66333333333
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18058.598
18058.598
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180585.98
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180585.98
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180585.98
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180585.98
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0.0
0.0
0.0
60195.32666666667
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0.0
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0.0
0.0
0.0
0.0
959.6197
14.16
14.16
0
75
78675.7
0.0
0.0
0.0
393378.5
0.0
393378.5
0.0
0.0
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393378.5
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157351.4
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131126.16666666666
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786757.0
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0.0
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262252.3333333333
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0.0
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0.0
677.1973
0.65
0.65
0
246
201565.854
0.0
484561.91
0.0
259754.33
263513.03
259754.33
263513.03
0.0
484561.91
0.0
259754.33
263513.03
146780.492
256351.216
174422.45333333334
484561.91
0.0
201565.854
201565.854
0.0
572289.1
0.0
161613.36
0.0
0.0
396834.72
0.0
357895.3
527026.06
0.0
484561.91
0.0
161613.36
0.0
0.0
0.0
442460.68000000005
0.0
484561.91
0.0
161613.36
0.0
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442460.68000000005
0.0
572289.1
0.0
161613.36
0.0
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396834.72
0.0
357895.3
527026.06
0.0
363932.5866666666
307953.5933333333
131980.11142857143
0.0
0.0
396834.72
0.0
527026.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
536.1652
15.42
15.42
0
255
Contaminants septum vial Thermo C4000-53 and C4000-54 serie
18870.681
0.0
0.0
94353.405
0.0
0.0
0.0
0.0
0.0
0.0
94353.405
0.0
0.0
37741.362
0.0
0.0
0.0
94353.405
18870.681
18870.681
0.0
0.0
188706.81
0.0
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188706.81
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188706.81
0.0
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0.0
0.0
0.0
47176.7025
0.0
0.0
26958.11571428572
0.0
188706.81
0.0
0.0
0.0
0.0
188706.81
0.0
0.0
188706.81
0.0
0.0
590.3149
9.85
9.85
0
149
16884.089
0.0
84420.445
0.0
0.0
0.0
0.0
0.0
0.0
84420.445
0.0
0.0
0.0
0.0
33768.178
0.0
84420.445
0.0
16884.089
16884.089
0.0
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0.0
0.0
0.0
168840.89
0.0
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0.0
84420.445
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84420.445
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168840.89
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56280.29666666667
24120.127142857145
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168840.89
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
313.1547
5.17
5.17
0
7
Spectral Match to Phe-Phe from NIST14
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N
InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)
60204.424
0.0
301022.12
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301022.12
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59573.56
60835.288
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301022.12
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60204.424
60204.424
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297867.8
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304176.44
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301022.12
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301022.12
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297867.8
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304176.44
0.0
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99289.26666666666
101392.14666666668
43453.77714285714
0.0
0.0
304176.44
0.0
0.0
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0.0
0.0
0.0
860.667
14.96
14.96
0
23
35935.656
0.0
94657.695
0.0
85020.585
0.0
85020.585
0.0
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94657.695
0.0
85020.585
0.0
37863.078
34008.234000000004
28340.195000000003
94657.695
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35935.656
35935.656
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189315.39
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170041.17
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170041.17
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119785.52000000002
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0.0
263.1713
0.81
0.81
0
7
28041.194
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140205.97
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56082.388
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28041.194
28041.194
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628.4994
13.54
13.54
0
23
16188.236
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32376.472
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53960.78666666666
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1304.7168
10.05
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13
14115.189000000002
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551.5395
16.83
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0
33
32301.953
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161509.765
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595.2288
5.92
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253
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1188.0713
16.64
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115503.69
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115503.69
165890.56
154542.416
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487.3605
13.06
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30
62406.11
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1276.6811
9.74
9.74
0
13
212838.763
0.0
889620.3
0.0
174573.515
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889620.3
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425677.526
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889620.3
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212838.763
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1779240.6
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614.5718
16.58
16.58
0
9
DG(16:0/18:0/0:0); [M+NH4]+ C37H76N1O5
nan
nan
10011.015
0.0
50055.075
0.0
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50055.075
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941.5098
8.18
8.18
0
62
NCGC00385557-01_C48H76O18_
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
227938.70840000003
618409.1
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0.0
0.0
0.0
0.0
60534.12
0.0
0.0
24213.648
0.0
0.0
0.0
60534.12
12106.824
12106.824
0.0
0.0
121068.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
121068.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
121068.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
121068.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
30267.06
0.0
0.0
17295.46285714286
0.0
121068.24
0.0
0.0
0.0
0.0
121068.24
0.0
0.0
121068.24
0.0
0.0
461.2512
9.25
9.25
0
115
24457.022
0.0
122285.11
0.0
0.0
0.0
0.0
0.0
0.0
122285.11
0.0
0.0
0.0
48914.044
0.0
0.0
122285.11
0.0
24457.022
24457.022
0.0
244570.22
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
122285.11
0.0
0.0
0.0
0.0
0.0
0.0
0.0
122285.11
0.0
0.0
0.0
0.0
0.0
0.0
0.0
244570.22
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
81523.40666666666
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
572.561
16.64
16.64
0
9
52519.92
0.0
0.0
65390.45
0.0
197209.15
0.0
197209.15
0.0
0.0
65390.45
0.0
197209.15
26156.18
78883.66
65736.38333333333
0.0
65390.45
52519.92
52519.92
0.0
0.0
130780.9
0.0
0.0
0.0
0.0
0.0
0.0
394418.3
0.0
0.0
130780.9
0.0
0.0
0.0
0.0
197209.15
0.0
0.0
130780.9
0.0
0.0
0.0
0.0
197209.15
0.0
0.0
130780.9
0.0
0.0
0.0
0.0
0.0
0.0
394418.3
32695.225
0.0
131472.76666666666
75028.45714285714
0.0
130780.9
0.0
0.0
394418.3
0.0
130780.9
0.0
0.0
130780.9
0.0
0.0
1217.4818
5.48
5.48
0
209
RUTIN TRIHYDRATE
CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3=C(C4=CC(O)=C(O)C=C4)OC5=CC(O)=CC(O)=C5C3=O)O2)O1
"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3"
44063.52
0.0
0.0
0.0
140299.53
80018.07
140299.53
80018.07
0.0
0.0
0.0
140299.53
80018.07
88127.04000000001
0.0
73439.2
0.0
0.0
44063.52
44063.52
0.0
0.0
0.0
280599.06
160036.14
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
280599.06
160036.14
0.0
0.0
0.0
0.0
0.0
0.0
280599.06
160036.14
0.0
0.0
0.0
0.0
0.0
0.0
280599.06
160036.14
0.0
0.0
0.0
0.0
0.0
40009.035
93533.02
0.0
22862.30571428572
53345.380000000005
0.0
0.0
0.0
0.0
0.0
0.0
160036.14
0.0
0.0
160036.14
0.0
402.3577
11.51
11.51
0
116
eudesmin
COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
14249.627
0.0
0.0
71248.135
0.0
0.0
0.0
0.0
0.0
0.0
71248.135
0.0
0.0
28499.254
0.0
0.0
0.0
71248.135
14249.627
14249.627
0.0
0.0
142496.27
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142496.27
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142496.27
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142496.27
0.0
0.0
0.0
0.0
0.0
0.0
0.0
35624.0675
0.0
0.0
20356.61
0.0
142496.27
0.0
0.0
0.0
0.0
142496.27
0.0
0.0
142496.27
0.0
0.0
936.607
15.02
15.02
0
15
14676.075
0.0
0.0
0.0
73380.375
0.0
73380.375
0.0
0.0
0.0
0.0
73380.375
0.0
29352.15
0.0
24460.125
0.0
0.0
14676.075
14676.075
0.0
0.0
0.0
146760.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
146760.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
146760.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
146760.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
48920.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
629.1951
14.21
14.21
0
42
Contaminant vial septum ThermoFisher C5000-44B
444627.6109999999
0.0
377492.625
72810.03
1772835.4
0.0
1772835.4
0.0
0.0
377492.625
72810.03
1772835.4
0.0
889255.2219999998
0.0
590945.1333333333
377492.625
72810.03
444627.6109999999
444627.6109999999
0.0
754985.25
145620.06
3545670.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
377492.625
145620.06
3545670.8
0.0
0.0
0.0
0.0
0.0
377492.625
145620.06
3545670.8
0.0
0.0
0.0
0.0
0.0
754985.25
145620.06
3545670.8
0.0
0.0
0.0
0.0
0.0
0.0
36405.015
1433552.0166666666
0.0
20802.86571428572
0.0
145620.06
0.0
0.0
0.0
0.0
145620.06
0.0
0.0
145620.06
0.0
0.0
393.2198
14.11
14.11
0
75
110061.51499999998
0.0
550307.575
0.0
0.0
0.0
0.0
0.0
0.0
550307.575
0.0
0.0
0.0
108722.48
111400.55
0.0
550307.575
0.0
110061.51499999998
110061.51499999998
0.0
543612.4
0.0
0.0
0.0
0.0
557002.75
0.0
0.0
0.0
0.0
550307.575
0.0
0.0
0.0
0.0
0.0
0.0
0.0
550307.575
0.0
0.0
0.0
0.0
0.0
0.0
0.0
543612.4
0.0
0.0
0.0
0.0
557002.75
0.0
0.0
0.0
0.0
181204.13333333333
185667.5833333333
79571.82142857143
0.0
0.0
557002.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
695.5372
16.97
16.97
0
51
450640.933
0.0
2144642.025
0.0
108562.64
0.0
108562.64
0.0
0.0
2144642.025
0.0
108562.64
0.0
92830.25
808451.6159999999
36187.54666666667
2144642.025
0.0
450640.933
450640.933
0.0
464151.25
0.0
0.0
0.0
0.0
3825132.8
0.0
217125.28
0.0
0.0
2144642.025
0.0
0.0
0.0
0.0
0.0
108562.64
0.0
2144642.025
0.0
0.0
0.0
0.0
0.0
108562.64
0.0
464151.25
0.0
0.0
0.0
0.0
3825132.8
0.0
217125.28
0.0
0.0
227092.17666666667
1275044.2666666666
546447.5428571429
0.0
0.0
3825132.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
560.1616
0.74
0.74
0
125
64258.406
0.0
0.0
0.0
321292.03
0.0
321292.03
0.0
0.0
0.0
0.0
321292.03
0.0
128516.812
0.0
107097.34333333334
0.0
0.0
64258.406
64258.406
0.0
0.0
0.0
642584.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
642584.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
642584.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
642584.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
214194.68666666668
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
282.2217
13.92
13.92
0
57
13114.461
0.0
0.0
0.0
0.0
65572.305
0.0
65572.305
0.0
0.0
0.0
0.0
65572.305
0.0
26228.922
21857.435
0.0
0.0
13114.461
13114.461
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
131144.61
0.0
0.0
0.0
0.0
0.0
0.0
0.0
65572.305
0.0
0.0
0.0
0.0
0.0
0.0
0.0
65572.305
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
131144.61
0.0
0.0
43714.87
18734.94428571428
0.0
0.0
0.0
0.0
131144.61
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1012.3713
5.48
5.48
0
174
28206.438
0.0
0.0
0.0
141032.19
0.0
141032.19
0.0
0.0
0.0
0.0
141032.19
0.0
56412.876
0.0
47010.73
0.0
0.0
28206.438
28206.438
0.0
0.0
0.0
282064.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
282064.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
282064.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
282064.38
0.0
0.0
0.0
0.0
0.0
0.0
0.0
94021.46
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1406.4366
0.6
0.6
0
137
11036.766
0.0
0.0
55183.83
0.0
0.0
0.0
0.0
0.0
0.0
55183.83
0.0
0.0
22073.532
0.0
0.0
0.0
55183.83
11036.766
11036.766
0.0
0.0
110367.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110367.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110367.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
110367.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
27591.915
0.0
0.0
15766.808571428572
0.0
110367.66
0.0
0.0
0.0
0.0
110367.66
0.0
0.0
110367.66
0.0
0.0
341.2662
12.48
12.48
0
30
57077.55
0.0
0.0
0.0
285387.75
0.0
285387.75
0.0
0.0
0.0
0.0
285387.75
0.0
114155.1
0.0
95129.25
0.0
0.0
57077.55
57077.55
0.0
0.0
0.0
570775.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
570775.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
570775.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
570775.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
190258.5
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
226.0711
4.35
4.35
0
139
Massbank:KO009044 Metyrapone
c(c2)ncc(c2)C(=O)C(C)(C)c(c1)cncc1
1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
470481.82
455961.53
68662.97
190571.125
1466806.165
170407.31
1466806.165
170407.31
455961.53
68662.97
190571.125
1466806.165
170407.31
809741.962
131221.678
697725.0016666667
68662.97
190571.125
470481.82
470481.82
911923.06
0.0
381142.25
2755644.5
0.0
0.0
137325.94
0.0
177967.83
340814.62
911923.06
68662.97
381142.25
2755644.5
0.0
0.0
0.0
259391.225
911923.06
68662.97
381142.25
2755644.5
0.0
0.0
0.0
259391.225
911923.06
0.0
381142.25
2755644.5
0.0
0.0
137325.94
0.0
177967.83
340814.62
323266.3275
977870.7766666668
159380.18666666668
253029.41
303974.35333333333
381142.25
137325.94
0.0
340814.62
455961.53
381142.25
0.0
911923.06
381142.25
0.0
0.0
548.5036
16.07
16.07
0
374
94306.495
189337.2
0.0
0.0
158603.765
123591.51
158603.765
123591.51
189337.2
0.0
0.0
158603.765
123591.51
75734.88
112878.11000000002
157177.49166666667
0.0
0.0
94306.495
94306.495
378674.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
317207.53
247183.02
378674.4
0.0
0.0
0.0
0.0
0.0
0.0
282195.275
378674.4
0.0
0.0
0.0
0.0
0.0
0.0
282195.275
378674.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
317207.53
247183.02
94668.6
105735.84333333334
82394.34
89408.20285714287
126224.8
0.0
0.0
0.0
247183.02
189337.2
0.0
0.0
378674.4
0.0
0.0
0.0
480.1568
12.78
12.78
0
42
713139-25-4
CC1CCC(C(=O)N(c2c(C(=O)O)sc(-c3ccccc3)c2)C2CCC(O)CC2)CC1
"InChI=1S/C25H31NO4S/c1-16-7-9-18(10-8-16)24(28)26(19-11-13-20(27)14-12-19)21-15-22(31-23(21)25(29)30)17-5-3-2-4-6-17/h2-6,15-16,18-20,27H,7-14H2,1H3,(H,29,30)"
94498.57
0.0
0.0
0.0
472492.85
0.0
472492.85
0.0
0.0
0.0
0.0
472492.85
0.0
188997.14
0.0
157497.61666666667
0.0
0.0
94498.57
94498.57
0.0
0.0
0.0
944985.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
944985.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
944985.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
944985.7
0.0
0.0
0.0
0.0
0.0
0.0
0.0
314995.23333333334
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
596.1707
0.65
0.65
0
246
111995.69
0.0
0.0
0.0
0.0
559978.45
0.0
559978.45
0.0
0.0
0.0
0.0
559978.45
0.0
223991.38
186659.4833333333
0.0
0.0
111995.69
111995.69
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1119956.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
559978.45
0.0
0.0
0.0
0.0
0.0
0.0
0.0
559978.45
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1119956.9
0.0
0.0
373318.9666666666
159993.84285714285
0.0
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244873.5
0.0
0.0
0.0
350434.61
453698.03
0.0
0.0
244873.5
0.0
0.0
0.0
350434.61
453698.03
0.0
0.0
244873.5
0.0
0.0
0.0
0.0
385447.75
315421.47
113424.5075
210107.0833333333
105140.49
109874.21428571428
151232.67666666667
0.0
0.0
0.0
315421.47
226849.015
0.0
0.0
453698.03
0.0
0.0
0.0
463.1303
12.81
12.81
0
42
630407-66-8
COc1c(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc2CCN(C)CCc2c1
"InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3"
6797.578
0.0
0.0
0.0
0.0
33987.89
0.0
33987.89
0.0
0.0
0.0
0.0
33987.89
0.0
13595.156
11329.296666666669
0.0
0.0
6797.578
6797.578
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
67975.78
0.0
0.0
0.0
0.0
0.0
0.0
0.0
33987.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
33987.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
67975.78
0.0
0.0
22658.59333333333
9710.825714285716
0.0
0.0
0.0
0.0
67975.78
0.0
0.0
0.0
0.0
0.0
0.0
0.0
182.9851
8.36
8.36
0
32
HARMANE CollisionEnergy:102040
Cc1nccc2c1[nH]c1ccccc12
"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3"
57656.08
0.0
0.0
288280.4
0.0
0.0
0.0
0.0
0.0
0.0
288280.4
0.0
0.0
0.0
115312.16
0.0
0.0
288280.4
57656.08
57656.08
0.0
0.0
0.0
0.0
0.0
0.0
0.0
576560.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
576560.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
576560.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
576560.8
0.0
0.0
0.0
0.0
192186.93333333332
82365.82857142857
0.0
0.0
0.0
576560.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
238.0685
1.28
1.28
0
30
215072.38
0.0
1075361.9
0.0
0.0
0.0
0.0
0.0
0.0
1075361.9
0.0
0.0
0.0
430144.76
0.0
0.0
1075361.9
0.0
215072.38
215072.38
0.0
2150723.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1075361.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1075361.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2150723.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
716907.9333333332
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
246.1317
5.37
5.37
0
40
Spectral Match to Phe-Pro from NIST14
nan
nan
98681.198
0.0
0.0
417019.0500000001
0.0
76386.94
0.0
76386.94
0.0
0.0
417019.0500000001
0.0
76386.94
107100.58
90261.816
25462.31333333333
0.0
417019.0500000001
98681.198
98681.198
0.0
0.0
535502.9
0.0
0.0
0.0
0.0
298535.2
0.0
152773.88
0.0
0.0
535502.9
0.0
0.0
0.0
298535.2
76386.94
0.0
0.0
535502.9
0.0
0.0
0.0
298535.2
76386.94
0.0
0.0
535502.9
0.0
0.0
0.0
0.0
298535.2
0.0
152773.88
133875.725
0.0
150436.36000000002
140973.13999999998
0.0
535502.9
0.0
298535.2
152773.88
0.0
535502.9
0.0
0.0
535502.9
0.0
0.0
946.6088
15.05
15.05
0
19
39411.5
0.0
120543.305
0.0
76514.195
0.0
76514.195
0.0
0.0
120543.305
0.0
76514.195
0.0
0.0
78823.0
25504.73166666667
120543.305
0.0
39411.5
39411.5
0.0
0.0
0.0
0.0
0.0
0.0
241086.61
0.0
153028.39
0.0
0.0
120543.305
0.0
0.0
0.0
0.0
0.0
76514.195
0.0
120543.305
0.0
0.0
0.0
0.0
0.0
76514.195
0.0
0.0
0.0
0.0
0.0
0.0
241086.61
0.0
153028.39
0.0
0.0
51009.46333333334
80362.20333333332
34440.944285714286
0.0
0.0
241086.61
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
307.0576
6.75
6.75
0
30
27330.653500000004
0.0
136653.26750000002
0.0
0.0
0.0
0.0
0.0
0.0
136653.26750000002
0.0
0.0
0.0
28914.768
25746.539
0.0
136653.26750000002
0.0
27330.653500000004
27330.653500000004
0.0
144573.84
0.0
0.0
0.0
0.0
128732.695
0.0
0.0
0.0
0.0
136653.26750000002
0.0
0.0
0.0
0.0
0.0
0.0
0.0
136653.26750000002
0.0
0.0
0.0
0.0
0.0
0.0
0.0
144573.84
0.0
0.0
0.0
0.0
128732.695
0.0
0.0
0.0
0.0
48191.28
42910.89833333334
18390.385
0.0
0.0
128732.695
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
585.3384
15.33
15.33
0
28
58643.380000000005
0.0
126436.1
0.0
166780.8
0.0
166780.8
0.0
0.0
126436.1
0.0
166780.8
0.0
117286.76
0.0
55593.6
126436.1
0.0
58643.380000000005
58643.380000000005
0.0
252872.2
0.0
333561.6
0.0
0.0
0.0
0.0
0.0
0.0
0.0
126436.1
0.0
333561.6
0.0
0.0
0.0
0.0
0.0
126436.1
0.0
333561.6
0.0
0.0
0.0
0.0
0.0
252872.2
0.0
333561.6
0.0
0.0
0.0
0.0
0.0
0.0
0.0
195477.93333333332
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345.0529
5.38
5.38
0
355
15974.558
0.0
79872.79
0.0
0.0
0.0
0.0
0.0
0.0
79872.79
0.0
0.0
0.0
0.0
31949.116
0.0
79872.79
0.0
15974.558
15974.558
0.0
0.0
0.0
0.0
0.0
0.0
159745.58
0.0
0.0
0.0
0.0
79872.79
0.0
0.0
0.0
0.0
0.0
0.0
0.0
79872.79
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
159745.58
0.0
0.0
0.0
0.0
0.0
53248.526666666665
22820.79714285714
0.0
0.0
159745.58
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
524.4518
14.79
14.79
0
23
18777.192000000003
0.0
0.0
0.0
0.0
93885.96
0.0
93885.96
0.0
0.0
0.0
0.0
93885.96
37554.384000000005
0.0
31295.320000000003
0.0
0.0
18777.192000000003
18777.192000000003
0.0
0.0
0.0
0.0
187771.92
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
187771.92
0.0
0.0
0.0
0.0
0.0
0.0
0.0
187771.92
0.0
0.0
0.0
0.0
0.0
0.0
0.0
187771.92
0.0
0.0
0.0
0.0
0.0
46942.98
0.0
0.0
26824.56
62590.64000000001
0.0
0.0
0.0
0.0
0.0
0.0
187771.92
0.0
0.0
187771.92
0.0
600.4679
12.52
12.52
0
23
Polidocanol
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
"InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3"
69055.91
0.0
345279.55
0.0
0.0
0.0
0.0
0.0
0.0
345279.55
0.0
0.0
0.0
138111.82
0.0
0.0
345279.55
0.0
69055.91
69055.91
0.0
690559.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345279.55
0.0
0.0
0.0
0.0
0.0
0.0
0.0
345279.55
0.0
0.0
0.0
0.0
0.0
0.0
0.0
690559.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
230186.36666666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
591.5321
16.85
16.85
0
53
12428.8414
0.0
0.0
0.0
62144.207
0.0
62144.207
0.0
0.0
0.0
0.0
62144.207
0.0
24857.6828
0.0
20714.735666666667
0.0
0.0
12428.8414
12428.8414
0.0
0.0
0.0
124288.414
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
124288.414
0.0
0.0
0.0
0.0
0.0
0.0
0.0
124288.414
0.0
0.0
0.0
0.0
0.0
0.0
0.0
124288.414
0.0
0.0
0.0
0.0
0.0
0.0
0.0
41429.471333333335
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
228.1424
3.86
3.86
0
40
Pyrenocine B putative
CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O
InChI=1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3
153983.108
0.0
769915.54
0.0
0.0
0.0
0.0
0.0
0.0
769915.54
0.0
0.0
0.0
265303.04
42663.176
0.0
769915.54
0.0
153983.108
153983.108
0.0
1326515.2
0.0
0.0
0.0
0.0
213315.88
0.0
0.0
0.0
0.0
769915.54
0.0
0.0
0.0
0.0
0.0
0.0
0.0
769915.54
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1326515.2
0.0
0.0
0.0
0.0
213315.88
0.0
0.0
0.0
0.0
442171.7333333333
71105.29333333333
30473.697142857145
0.0
0.0
213315.88
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
617.5114
16.18
16.18
0
44
834411.35
0.0
4172056.75
0.0
0.0
0.0
0.0
0.0
0.0
4172056.75
0.0
0.0
0.0
0.0
1668822.7
0.0
4172056.75
0.0
834411.35
834411.35
0.0
0.0
0.0
0.0
0.0
0.0
8344113.5
0.0
0.0
0.0
0.0
4172056.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
4172056.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
8344113.5
0.0
0.0
0.0
0.0
0.0
2781371.1666666665
1192016.2142857143
0.0
0.0
8344113.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
943.5248
8.37
8.37
0
62
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
191218.0334
0.0
0.0
956090.167
0.0
0.0
0.0
0.0
0.0
0.0
956090.167
0.0
0.0
363350.92
19085.1468
0.0
0.0
956090.167
191218.0334
191218.0334
0.0
0.0
1816754.6
0.0
0.0
0.0
0.0
95425.734
0.0
0.0
0.0
0.0
1816754.6
0.0
0.0
0.0
95425.734
0.0
0.0
0.0
1816754.6
0.0
0.0
0.0
95425.734
0.0
0.0
0.0
1816754.6
0.0
0.0
0.0
0.0
95425.734
0.0
0.0
454188.65
0.0
31808.578
273168.61914285715
0.0
1816754.6
0.0
95425.734
0.0
0.0
1816754.6
0.0
0.0
1816754.6
0.0
0.0
461.251
8.29
8.29
0
30
589069.88
0.0
0.0
0.0
1407738.0
1537611.4
1407738.0
1537611.4
0.0
0.0
0.0
1407738.0
1537611.4
0.0
1178139.76
981783.1333333332
0.0
0.0
589069.88
589069.88
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2815476.0
3075222.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2945349.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2945349.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2815476.0
3075222.8
0.0
938492.0
1025074.2666666666
439317.5428571428
0.0
0.0
0.0
0.0
3075222.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
313.1426
0.81
0.81
0
76
34507.534
134008.15
0.0
0.0
38529.52
0.0
38529.52
0.0
134008.15
0.0
0.0
38529.52
0.0
0.0
69015.068
57512.55666666666
0.0
0.0
34507.534
34507.534
0.0
0.0
0.0
0.0
0.0
268016.3
0.0
0.0
77059.04
0.0
0.0
0.0
0.0
0.0
0.0
268016.3
0.0
38529.52
0.0
0.0
0.0
0.0
0.0
268016.3
0.0
38529.52
0.0
0.0
0.0
0.0
0.0
268016.3
0.0
0.0
77059.04
0.0
67004.075
25686.346666666665
0.0
38288.04285714286
89338.76666666666
0.0
0.0
0.0
0.0
134008.15
0.0
0.0
0.0
0.0
0.0
268016.3
377.1456
4.3
4.3
0
230
riboflavin
Cc1cc2c(cc1C)n(CC(O)C(O)C(O)CO)c1nc(=O)[nH]c(=O)c-1n2
"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1"
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276.1937
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450.245
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221.092
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326
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146852.19
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668.6185
16.27
16.27
0
63
14132.47
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14132.47
14132.47
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789.512
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19
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652.5506
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15.46
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36
378238.174
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123352.31333333334
52865.27714285714
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0.0
612.5561
16.18
16.18
0
9
DAG (16:0/18:1)
nan
nan
671772.4
0.0
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3358862.0
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3358862.0
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303.6475
5.35
5.35
0
239
1021350.2
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0.0
166.0862
0.9
0.9
0
7
Phenylalanine
C1=CC=C(C=C1)CC(C(=O)O)N
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
282759.973
0.0
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29075.706
536444.24
447036.8666666667
0.0
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2682221.2
36344.6325
0.0
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403942.8185714286
0.0
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0.0
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2682221.2
0.0
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0.0
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0.0
0.0
625.2395
5.65
5.65
0
253
79494.32800000001
0.0
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79494.32800000001
0.0
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508.4569
15.11
15.11
0
23
108675.866
319482.5
223896.83
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223896.83
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155251.23714285714
212988.3333333333
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638965.0
219.1338
0.89
0.89
0
7
Lys-C4:0
CCCC(NC(CCCCN)C(O)=O)=O
InChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)
10118.264
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10118.264
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326.1708
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27
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8
C2_0_N-Acyl_Tyramine
OC(C=C1)=CC=C1CCNC(C)=O
InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
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279.1341
3.85
3.85
0
164
12264.597
0.0
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0.0
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24529.194
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61322.985
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122645.97
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295.1288
1.55
1.55
0
7
Spectral Match to Phe-Met from NIST14
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
3099931.1560000004
291225.28
12301400.5
0.0
2907030.0
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291225.28
12301400.5
0.0
2907030.0
0.0
4288917.9120000005
1910944.4
1066085.0933333335
12301400.5
0.0
3099931.1560000004
3099931.1560000004
582450.56
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582450.56
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6954046.333333333
3184907.333333333
1448167.5085714287
194150.18666666668
0.0
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0.0
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0.0
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365.1052
0.7
0.7
0
30
3073398.48
434594.4
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0.0
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0.0
434594.4
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0.0
5919264.0
0.0
5972959.2
173837.76
2117952.8000000003
9013134.0
0.0
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3073398.48
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217297.2
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869188.8
182.0811
0.9
0.9
0
312
Tyrosine
C1=CC(=CC=C1CC(C(=O)O)N)O
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
434731.15
2173655.75
0.0
0.0
0.0
0.0
0.0
0.0
2173655.75
0.0
0.0
0.0
0.0
0.0
869462.3
724551.9166666666
0.0
0.0
434731.15
434731.15
0.0
0.0
0.0
0.0
0.0
4347311.5
0.0
0.0
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0.0
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0.0
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4347311.5
0.0
0.0
0.0
0.0
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0.0
0.0
4347311.5
0.0
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4347311.5
0.0
0.0
0.0
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1086827.875
0.0
0.0
621044.5
1449103.8333333333
0.0
0.0
0.0
0.0
2173655.75
0.0
0.0
0.0
0.0
0.0
4347311.5
217.1546
1.34
1.34
0
7
Spectral Match to Val-Val from NIST14
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
50888.496
0.0
254442.48
0.0
0.0
0.0
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0.0
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254442.48
0.0
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0.0
58343.788
43433.204
0.0
254442.48
0.0
50888.496
50888.496
0.0
291718.94
0.0
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0.0
217166.02
0.0
0.0
0.0
0.0
254442.48
0.0
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254442.48
0.0
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291718.94
0.0
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0.0
217166.02
0.0
0.0
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0.0
97239.64666666668
72388.67333333332
31023.717142857146
0.0
0.0
217166.02
0.0
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0.0
690.5304
15.49
15.49
0
41
665118.64
0.0
1453310.1
347603.0
1524680.1
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1524680.1
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1453310.1
347603.0
1524680.1
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169.0971
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40
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158097.0
318.1811
4.95
4.95
0
61
Spectral Match to Ile-Trp from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)/t10-,14-,15-/m0/s1
27125.506
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316.1292
5.05
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0
61
Oglufanide
NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
"InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1"
112810.1154
223016.65
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86092.39
54496.617
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86092.39
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302.1499
4.53
4.53
0
102
Trp-Pro
C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O
S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1
23730.869
0.0
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60108.97
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23730.869
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0.0
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0.0
218.1401
4.71
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0
224
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651.3566
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0
3
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611790.2
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0.0
236.1223
0.85
0.85
0
40
Spectral Match to His-Pro from NIST14
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O
InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1
35591.9766
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600.5923
17.07
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435.295
11.3
11.3
0
143
Massbank:LU125401 Bis[2-(2-butoxyethoxy)ethyl] hexandioate|Bis[2-(2-butoxyethoxy)ethyl] adipate|bis[2-(2-butoxyethoxy)ethyl] hexanedioate
CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
37813.706
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243.0878
5.85
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230
LUMICHROME - 70.0 eV
CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
19131.677
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Phe-C15:0
CCCCCCCCCCCCCCC(NC(C(O)=O)CC1=CC=CC=C1)=O
InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(26)25-22(24(27)28)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,25,26)(H,27,28)
29027.317
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168
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289.0261
7.5
7.5
0
34
3-(3-chlorophenyl)-6-hydroxy-4-methylchromen-2-one CollisionEnergy:205060
Cc1c(-c2cccc(Cl)c2)c(=O)oc2ccc(O)cc12
"InChI=1S/C16H11ClO3/c1-9-13-8-12(18)5-6-14(13)20-16(19)15(9)10-3-2-4-11(17)7-10/h2-8,18H,1H3"
1085725.7
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1085725.7
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0.0
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3619085.6666666665
1551036.7142857143
0.0
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0.0
0.0
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0.0
0.0
0.0
0.0
1287.6886
10.05
10.05
0
13
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0.0
0.0
0.0
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0.0
64727.055
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0.0
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0.0
25890.822
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0.0
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12945.411
12945.411
0.0
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43151.37
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0.0
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0.0
305.0211
8.29
8.29
0
34
130330.33
0.0
651651.6499999999
0.0
0.0
0.0
0.0
0.0
0.0
651651.6499999999
0.0
0.0
0.0
132530.13999999998
128130.52
0.0
651651.6499999999
0.0
130330.33
130330.33
0.0
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213550.86666666667
91521.8
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0.0
0.0
280.2633
12.8
12.8
0
83
linoleic acid
CCCCC\\C=C/C\\C=C/CCCCCCCC(O)=O
"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-"
35352.794
0.0
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176763.97
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176763.97
0.0
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70705.588
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0.0
0.0
176763.97
35352.794
35352.794
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88381.985
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0.0
353527.94
0.0
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353527.94
0.0
0.0
353527.94
0.0
0.0
422.2903
9.87
9.87
0
254
113436.29200000002
88023.665
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170503.67
88023.665
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226872.584
86175.77833333334
308654.125
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113436.29200000002
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617308.25
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341007.34
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319438.53
162051.8457142857
58682.44333333333
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617308.25
0.0
341007.34
88023.665
0.0
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0.0
0.0
176047.33
345.1133
0.81
0.81
0
76
29602.6
0.0
148013.0
0.0
0.0
0.0
0.0
0.0
0.0
148013.0
0.0
0.0
0.0
0.0
59205.2
0.0
148013.0
0.0
29602.6
29602.6
0.0
0.0
0.0
0.0
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0.0
296026.0
0.0
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148013.0
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0.0
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0.0
0.0
148013.0
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
296026.0
0.0
0.0
0.0
0.0
0.0
98675.33333333331
42289.42857142857
0.0
0.0
296026.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
930.5432
8.34
8.34
0
62
NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-14-47(20-48)25(43(28,4)5)11-13-46(8)26(47)10-9-22-23-17-42(2,3)18-27(50)44(23,6)15-16-45(22,46)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44+,45+,46+,47+/m0/s1
30679.47
0.0
153397.35
0.0
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0.0
0.0
153397.35
0.0
0.0
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61358.94
0.0
0.0
153397.35
0.0
30679.47
30679.47
0.0
306794.7
0.0
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0.0
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0.0
0.0
0.0
153397.35
0.0
0.0
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153397.35
0.0
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0.0
0.0
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306794.7
0.0
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0.0
102264.9
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
290.0481
7.8
7.8
0
115
42208.65
0.0
211043.25
0.0
0.0
0.0
0.0
0.0
0.0
211043.25
0.0
0.0
0.0
0.0
84417.3
0.0
211043.25
0.0
42208.65
42208.65
0.0
0.0
0.0
0.0
0.0
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422086.5
0.0
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211043.25
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211043.25
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0.0
0.0
0.0
422086.5
0.0
0.0
0.0
0.0
0.0
140695.5
60298.07142857143
0.0
0.0
422086.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1196.7275
9.49
9.49
0
13
87270.55600000001
0.0
0.0
0.0
436352.78
0.0
436352.78
0.0
0.0
0.0
0.0
436352.78
0.0
174541.11200000002
0.0
145450.92666666667
0.0
0.0
87270.55600000001
87270.55600000001
0.0
0.0
0.0
872705.56
0.0
0.0
0.0
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0.0
0.0
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872705.56
0.0
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872705.56
0.0
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872705.56
0.0
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290901.85333333333
0.0
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0.0
0.0
0.0
0.0
455.3343
14.08
14.08
0
30
58530.709
0.0
196523.735
0.0
96129.81
0.0
96129.81
0.0
0.0
196523.735
0.0
96129.81
0.0
78629.812
38431.606
32043.27
196523.735
0.0
58530.709
58530.709
0.0
200889.44
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192259.62
0.0
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192158.03
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196523.735
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200889.44
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131049.68666666666
64052.676666666666
27451.147142857146
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192158.03
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0.0
0.0
0.0
0.0
0.0
256.2635
13.36
13.36
0
30
Spectral Match to Palmitamide from NIST14
nan
nan
14593.712
0.0
0.0
0.0
72968.56
0.0
72968.56
0.0
0.0
0.0
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72968.56
0.0
29187.424
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24322.853333333333
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14593.712
14593.712
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48645.706666666665
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0.0
0.0
615.3501
11.67
11.67
0
103
8604.337
0.0
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43021.685
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17208.674
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8604.337
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86043.37
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43021.685
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86043.37
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28681.123333333333
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87544.63100000001
0.0
0.0
0.0
0.0
0.0
0.0
602817.06
0.0
272629.25
0.0
0.0
301408.53
0.0
0.0
0.0
0.0
0.0
136314.625
0.0
301408.53
0.0
0.0
0.0
0.0
0.0
136314.625
0.0
0.0
0.0
0.0
0.0
0.0
602817.06
0.0
272629.25
0.0
0.0
90876.41666666669
200939.02
86116.72285714287
0.0
0.0
602817.06
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
325.1425
0.81
0.81
0
71
17029.366
0.0
0.0
85146.83
0.0
0.0
0.0
0.0
0.0
0.0
85146.83
0.0
0.0
0.0
34058.732
0.0
0.0
85146.83
17029.366
17029.366
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170293.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170293.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170293.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170293.66
0.0
0.0
0.0
0.0
56764.55333333334
24327.665714285715
0.0
0.0
0.0
170293.66
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
902.6191
15.11
15.11
0
19
167270.718
95178.95
240381.92
0.0
500792.72
0.0
500792.72
0.0
95178.95
240381.92
0.0
500792.72
0.0
200317.088
134224.348
198657.2233333333
240381.92
0.0
167270.718
167270.718
0.0
0.0
0.0
1001585.44
0.0
190357.9
480763.84
0.0
0.0
0.0
0.0
240381.92
0.0
1001585.44
0.0
190357.9
0.0
0.0
0.0
240381.92
0.0
1001585.44
0.0
190357.9
0.0
0.0
0.0
0.0
0.0
1001585.44
0.0
190357.9
480763.84
0.0
0.0
0.0
47589.475
333861.8133333333
160254.61333333334
95874.53428571428
63452.63333333333
0.0
480763.84
0.0
0.0
95178.95
0.0
0.0
0.0
0.0
0.0
190357.9
442.1872
0.82
0.82
0
94
32633.8
0.0
163169.0
0.0
0.0
0.0
0.0
0.0
0.0
163169.0
0.0
0.0
0.0
65267.6
0.0
0.0
163169.0
0.0
32633.8
32633.8
0.0
326338.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
163169.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
163169.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
326338.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
108779.33333333331
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1239.1412
16.7
16.7
0
9
519046.313
0.0
2333155.5
135502.015
126574.05
0.0
126574.05
0.0
0.0
2333155.5
135502.015
126574.05
0.0
1038092.626
0.0
42191.35
2333155.5
135502.015
519046.313
519046.313
0.0
4666311.0
271004.03
253148.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2333155.5
271004.03
253148.1
0.0
0.0
0.0
0.0
0.0
2333155.5
271004.03
253148.1
0.0
0.0
0.0
0.0
0.0
4666311.0
271004.03
253148.1
0.0
0.0
0.0
0.0
0.0
0.0
67751.0075
1639819.7
0.0
38714.86142857144
0.0
271004.03
0.0
0.0
0.0
0.0
271004.03
0.0
0.0
271004.03
0.0
0.0
247.1288
1.3
1.3
0
61
ReSpect:PM017302 gamma-L-Glutamyl-L-valine
nan
nan
174710.928
0.0
221922.04
0.0
278525.85
373106.75
278525.85
373106.75
0.0
221922.04
0.0
278525.85
373106.75
306997.38
42424.476
217210.86666666667
221922.04
0.0
174710.928
174710.928
0.0
231721.7
0.0
557051.7
746213.5
0.0
212122.38
0.0
0.0
0.0
0.0
221922.04
0.0
557051.7
746213.5
0.0
0.0
0.0
0.0
221922.04
0.0
557051.7
746213.5
0.0
0.0
0.0
0.0
231721.7
0.0
557051.7
746213.5
0.0
212122.38
0.0
0.0
0.0
186553.375
262924.4666666666
70707.46
136905.1257142857
248737.8333333333
0.0
212122.38
0.0
0.0
0.0
0.0
746213.5
0.0
0.0
746213.5
0.0
447.3467
15.3
15.3
0
123
Spectral Match to Diisodecyl phthalate from NIST14
nan
nan
238754.36
0.0
394560.6
345688.95
453522.25
0.0
453522.25
0.0
0.0
394560.6
345688.95
453522.25
0.0
477508.72
0.0
151174.08333333334
394560.6
345688.95
238754.36
238754.36
0.0
789121.2
691377.9
907044.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
394560.6
691377.9
907044.5
0.0
0.0
0.0
0.0
0.0
394560.6
691377.9
907044.5
0.0
0.0
0.0
0.0
0.0
789121.2
691377.9
907044.5
0.0
0.0
0.0
0.0
0.0
0.0
172844.475
565388.5666666667
0.0
98768.27142857145
0.0
691377.9
0.0
0.0
0.0
0.0
691377.9
0.0
0.0
691377.9
0.0
0.0
245.0954
0.9
0.9
0
131
171296.031
0.0
0.0
0.0
757664.57
98815.585
757664.57
98815.585
0.0
0.0
0.0
757664.57
98815.585
106677.788
235914.274
285493.38499999995
0.0
0.0
171296.031
171296.031
0.0
0.0
0.0
533388.94
0.0
0.0
0.0
0.0
981940.2
197631.17
0.0
0.0
0.0
533388.94
0.0
0.0
0.0
589785.6849999999
0.0
0.0
0.0
533388.94
0.0
0.0
0.0
589785.6849999999
0.0
0.0
0.0
533388.94
0.0
0.0
0.0
0.0
981940.2
197631.17
0.0
505109.7133333333
65877.05666666667
28233.024285714288
0.0
0.0
0.0
0.0
197631.17
0.0
0.0
0.0
0.0
0.0
0.0
0.0
797.4684
8.71
8.71
0
62
168024.24
0.0
840121.2
0.0
0.0
0.0
0.0
0.0
0.0
840121.2
0.0
0.0
0.0
0.0
336048.48
0.0
840121.2
0.0
168024.24
168024.24
0.0
0.0
0.0
0.0
0.0
0.0
1680242.4
0.0
0.0
0.0
0.0
840121.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
840121.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1680242.4
0.0
0.0
0.0
0.0
0.0
560080.7999999999
240034.62857142856
0.0
0.0
1680242.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1192.7062
9.57
9.57
0
13
14220.886
0.0
0.0
0.0
71104.43
0.0
71104.43
0.0
0.0
0.0
0.0
71104.43
0.0
28441.772
0.0
23701.476666666666
0.0
0.0
14220.886
14220.886
0.0
0.0
0.0
142208.86
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142208.86
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142208.86
0.0
0.0
0.0
0.0
0.0
0.0
0.0
142208.86
0.0
0.0
0.0
0.0
0.0
0.0
0.0
47402.95333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
600.468
12.29
12.29
0
23
8138.182000000001
0.0
0.0
40690.91
0.0
0.0
0.0
0.0
0.0
0.0
40690.91
0.0
0.0
16276.364
0.0
0.0
0.0
40690.91
8138.182000000001
8138.182000000001
0.0
0.0
81381.82
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
81381.82
0.0
0.0
0.0
0.0
0.0
0.0
0.0
81381.82
0.0
0.0
0.0
0.0
0.0
0.0
0.0
81381.82
0.0
0.0
0.0
0.0
0.0
0.0
0.0
20345.455
0.0
0.0
11625.974285714286
0.0
81381.82
0.0
0.0
0.0
0.0
81381.82
0.0
0.0
81381.82
0.0
0.0
376.1898
1.25
1.25
0
131
141498.18
0.0
707490.9
0.0
0.0
0.0
0.0
0.0
0.0
707490.9
0.0
0.0
0.0
0.0
282996.36
0.0
707490.9
0.0
141498.18
141498.18
0.0
0.0
0.0
0.0
0.0
0.0
1414981.8
0.0
0.0
0.0
0.0
707490.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
707490.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1414981.8
0.0
0.0
0.0
0.0
0.0
471660.6
202140.25714285715
0.0
0.0
1414981.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
272.0634
7.55
7.55
0
34
Genistein
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
114875.88
0.0
574379.4
0.0
0.0
0.0
0.0
0.0
0.0
574379.4
0.0
0.0
0.0
0.0
229751.76
0.0
574379.4
0.0
114875.88
114875.88
0.0
0.0
0.0
0.0
0.0
0.0
1148758.8
0.0
0.0
0.0
0.0
574379.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
574379.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1148758.8
0.0
0.0
0.0
0.0
0.0
382919.6
164108.4
0.0
0.0
1148758.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
203.0526
0.71
0.71
0
30
63039.337
0.0
0.0
172488.7
0.0
142707.985
0.0
142707.985
0.0
0.0
172488.7
0.0
142707.985
68995.48000000001
57083.194
47569.32833333333
0.0
172488.7
63039.337
63039.337
0.0
0.0
344977.4
0.0
0.0
0.0
0.0
0.0
0.0
285415.97
0.0
0.0
344977.4
0.0
0.0
0.0
0.0
142707.985
0.0
0.0
344977.4
0.0
0.0
0.0
0.0
142707.985
0.0
0.0
344977.4
0.0
0.0
0.0
0.0
0.0
0.0
285415.97
86244.35
0.0
95138.65666666666
90056.19571428571
0.0
344977.4
0.0
0.0
285415.97
0.0
344977.4
0.0
0.0
344977.4
0.0
0.0
847.5205
14.95
14.95
0
19
9967.154
0.0
49835.77
0.0
0.0
0.0
0.0
0.0
0.0
49835.77
0.0
0.0
0.0
19934.308
0.0
0.0
49835.77
0.0
9967.154
9967.154
0.0
99671.54
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
49835.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
49835.77
0.0
0.0
0.0
0.0
0.0
0.0
0.0
99671.54
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
33223.846666666665
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
232.9801
0.0
0.0
0
182
77695.463
0.0
388477.315
0.0
0.0
0.0
0.0
0.0
0.0
388477.315
0.0
0.0
0.0
76550.976
78839.95
0.0
388477.315
0.0
77695.463
77695.463
0.0
382754.88
0.0
0.0
0.0
0.0
394199.75
0.0
0.0
0.0
0.0
388477.315
0.0
0.0
0.0
0.0
0.0
0.0
0.0
388477.315
0.0
0.0
0.0
0.0
0.0
0.0
0.0
382754.88
0.0
0.0
0.0
0.0
394199.75
0.0
0.0
0.0
0.0
127584.96
131399.91666666666
56314.25
0.0
0.0
394199.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
816.6407
14.97
14.97
0
23
410427.55
0.0
0.0
0.0
2052137.75
0.0
2052137.75
0.0
0.0
0.0
0.0
2052137.75
0.0
820855.1
0.0
684045.9166666666
0.0
0.0
410427.55
410427.55
0.0
0.0
0.0
4104275.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
4104275.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
4104275.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
4104275.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1368091.8333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
243.134
4.35
4.35
0
50
Spectral Match to PyroGlu-Ile from NIST14
O=C(N[C@H](C(O)=O)[C@@H](C)CC)[C@H]1NC(CC1)=O
InChI=1S/C11H18N2O4/c1-3-6(2)9(11(16)17)13-10(15)7-4-5-8(14)12-7/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7-,9-/m0/s1
19783.42
0.0
98917.1
0.0
0.0
0.0
0.0
0.0
0.0
98917.1
0.0
0.0
0.0
39566.84
0.0
0.0
98917.1
0.0
19783.42
19783.42
0.0
197834.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
98917.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
98917.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
197834.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
65944.73333333334
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1186.0191
16.21
16.21
0
47
26473.103000000003
0.0
132365.515
0.0
0.0
0.0
0.0
0.0
0.0
132365.515
0.0
0.0
0.0
52946.206000000006
0.0
0.0
132365.515
0.0
26473.103000000003
26473.103000000003
0.0
264731.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
132365.515
0.0
0.0
0.0
0.0
0.0
0.0
0.0
132365.515
0.0
0.0
0.0
0.0
0.0
0.0
0.0
264731.03
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
88243.67666666668
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
592.5357
16.86
16.86
0
53
114481.254
227316.33
0.0
0.0
233143.18
111946.76
233143.18
111946.76
227316.33
0.0
0.0
233143.18
111946.76
137510.688
91451.82
190802.09
0.0
0.0
114481.254
114481.254
454632.66
0.0
0.0
232920.78
0.0
0.0
0.0
0.0
233365.58
223893.52
454632.66
0.0
0.0
232920.78
0.0
0.0
0.0
228629.55
454632.66
0.0
0.0
232920.78
0.0
0.0
0.0
228629.55
454632.66
0.0
0.0
232920.78
0.0
0.0
0.0
0.0
233365.58
223893.52
113658.165
155428.78666666665
74631.17333333332
96932.31142857144
151544.22
0.0
0.0
0.0
223893.52
227316.33
0.0
0.0
454632.66
0.0
0.0
0.0
554.1757
13.73
13.73
0
42
"(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol"
CCNC1=NC2C(OC(C(F)F)C(O)C2O)S1
"InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1"
43310.61
0.0
216553.05
0.0
0.0
0.0
0.0
0.0
0.0
216553.05
0.0
0.0
0.0
0.0
86621.22
0.0
216553.05
0.0
43310.61
43310.61
0.0
0.0
0.0
0.0
0.0
0.0
433106.1
0.0
0.0
0.0
0.0
216553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
216553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
433106.1
0.0
0.0
0.0
0.0
0.0
144368.69999999998
61872.3
0.0
0.0
433106.1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1271.6589
9.85
9.85
0
13
20689.017
103445.085
0.0
0.0
0.0
0.0
0.0
0.0
103445.085
0.0
0.0
0.0
0.0
41378.034
0.0
34481.695
0.0
0.0
20689.017
20689.017
206890.17
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
206890.17
0.0
0.0
0.0
0.0
0.0
0.0
0.0
206890.17
0.0
0.0
0.0
0.0
0.0
0.0
0.0
206890.17
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
51722.5425
0.0
0.0
29555.738571428574
68963.39
0.0
0.0
0.0
0.0
103445.085
0.0
0.0
206890.17
0.0
0.0
0.0
555.3169
9.77
9.77
0
166
51918.056
0.0
259590.28
0.0
0.0
0.0
0.0
0.0
0.0
259590.28
0.0
0.0
0.0
103836.112
0.0
0.0
259590.28
0.0
51918.056
51918.056
0.0
519180.56
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
259590.28
0.0
0.0
0.0
0.0
0.0
0.0
0.0
259590.28
0.0
0.0
0.0
0.0
0.0
0.0
0.0
519180.56
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
173060.18666666668
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
577.5185
16.18
16.18
0
33
Spectral Match to 1-Palmitoyl-2-oleoyl-sn-glycerol from NIST14
nan
nan
479499.9
0.0
2397499.5
0.0
0.0
0.0
0.0
0.0
0.0
2397499.5
0.0
0.0
0.0
0.0
958999.8
0.0
2397499.5
0.0
479499.9
479499.9
0.0
0.0
0.0
0.0
0.0
0.0
4794999.0
0.0
0.0
0.0
0.0
2397499.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2397499.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
4794999.0
0.0
0.0
0.0
0.0
0.0
1598333.0
684999.8571428572
0.0
0.0
4794999.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
603.8637
9.82
9.82
0
43
8090.647
0.0
0.0
40453.235
0.0
0.0
0.0
0.0
0.0
0.0
40453.235
0.0
0.0
16181.294
0.0
0.0
0.0
40453.235
8090.647
8090.647
0.0
0.0
80906.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
80906.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
80906.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
80906.47
0.0
0.0
0.0
0.0
0.0
0.0
0.0
20226.6175
0.0
0.0
11558.067142857142
0.0
80906.47
0.0
0.0
0.0
0.0
80906.47
0.0
0.0
80906.47
0.0
0.0
287.1543
14.01
14.01
0
82
48834.84
0.0
244174.2
0.0
0.0
0.0
0.0
0.0
0.0
244174.2
0.0
0.0
0.0
97669.68
0.0
0.0
244174.2
0.0
48834.84
48834.84
0.0
488348.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
244174.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
244174.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
488348.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
162782.80000000002
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
385.9019
0.63
0.63
0
75
34143.13
0.0
0.0
0.0
0.0
170715.65
0.0
170715.65
0.0
0.0
0.0
0.0
170715.65
68286.26
0.0
56905.21666666667
0.0
0.0
34143.13
34143.13
0.0
0.0
0.0
0.0
341431.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
341431.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
341431.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
341431.3
0.0
0.0
0.0
0.0
0.0
85357.825
0.0
0.0
48775.9
113810.43333333332
0.0
0.0
0.0
0.0
0.0
0.0
341431.3
0.0
0.0
341431.3
0.0
268.1656
2.42
2.42
0
17
32928.216
164641.08
0.0
0.0
0.0
0.0
0.0
0.0
164641.08
0.0
0.0
0.0
0.0
65856.432
0.0
54880.35999999999
0.0
0.0
32928.216
32928.216
329282.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
329282.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
329282.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
329282.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
82320.54
0.0
0.0
47040.30857142857
109760.72
0.0
0.0
0.0
0.0
164641.08
0.0
0.0
329282.16
0.0
0.0
0.0
218.1385
2.38
2.38
0
59
13650.778
0.0
0.0
0.0
68253.89
0.0
68253.89
0.0
0.0
0.0
0.0
68253.89
0.0
0.0
27301.556
22751.296666666665
0.0
0.0
13650.778
13650.778
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
136507.78
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
68253.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
68253.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
136507.78
0.0
0.0
45502.59333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
544.2598
1.24
1.24
0
152
277616.48
0.0
0.0
0.0
1388082.4
0.0
1388082.4
0.0
0.0
0.0
0.0
1388082.4
0.0
0.0
555232.96
462694.1333333333
0.0
0.0
277616.48
277616.48
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2776164.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1388082.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1388082.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2776164.8
0.0
0.0
925388.2666666666
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
782.5694
15.48
15.48
0
39
Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14
nan
nan
60097.990000000005
0.0
0.0
0.0
0.0
300489.95
0.0
300489.95
0.0
0.0
0.0
0.0
300489.95
120195.98
0.0
100163.31666666668
0.0
0.0
60097.990000000005
60097.990000000005
0.0
0.0
0.0
0.0
600979.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
600979.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
600979.9
0.0
0.0
0.0
0.0
0.0
0.0
0.0
600979.9
0.0
0.0
0.0
0.0
0.0
150244.975
0.0
0.0
85854.27142857143
200326.63333333333
0.0
0.0
0.0
0.0
0.0
0.0
600979.9
0.0
0.0
600979.9
0.0
803.5427
14.83
14.83
0
271
83042.513
76188.625
339023.94
0.0
0.0
0.0
0.0
0.0
76188.625
339023.94
0.0
0.0
0.0
67871.076
98213.95
25396.20833333333
339023.94
0.0
83042.513
83042.513
0.0
339355.38
0.0
0.0
0.0
152377.25
338692.5
0.0
0.0
0.0
0.0
339023.94
0.0
0.0
0.0
152377.25
0.0
0.0
0.0
339023.94
0.0
0.0
0.0
152377.25
0.0
0.0
0.0
339355.38
0.0
0.0
0.0
152377.25
338692.5
0.0
0.0
0.0
38094.3125
113118.46
112897.5
70152.82142857143
50792.41666666666
0.0
338692.5
0.0
0.0
76188.625
0.0
0.0
0.0
0.0
0.0
152377.25
496.4206
13.71
13.71
0
23
12808.2914
0.0
0.0
0.0
64041.457
0.0
64041.457
0.0
0.0
0.0
0.0
64041.457
0.0
25616.5828
0.0
21347.15233333333
0.0
0.0
12808.2914
12808.2914
0.0
0.0
0.0
128082.914
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
128082.914
0.0
0.0
0.0
0.0
0.0
0.0
0.0
128082.914
0.0
0.0
0.0
0.0
0.0
0.0
0.0
128082.914
0.0
0.0
0.0
0.0
0.0
0.0
0.0
42694.30466666667
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
672.5257
13.51
13.51
0
23
39319.43
0.0
0.0
0.0
0.0
196597.15
0.0
196597.15
0.0
0.0
0.0
0.0
196597.15
78638.86
0.0
65532.38333333333
0.0
0.0
39319.43
39319.43
0.0
0.0
0.0
0.0
393194.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
393194.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
393194.3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
393194.3
0.0
0.0
0.0
0.0
0.0
98298.575
0.0
0.0
56170.61428571429
131064.76666666666
0.0
0.0
0.0
0.0
0.0
0.0
393194.3
0.0
0.0
393194.3
0.0
512.4154
12.6
12.6
0
23
84734.05
0.0
0.0
0.0
423670.25
0.0
423670.25
0.0
0.0
0.0
0.0
423670.25
0.0
0.0
169468.1
141223.41666666666
0.0
0.0
84734.05
84734.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
847340.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
423670.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
423670.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
847340.5
0.0
0.0
282446.8333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
786.6008
16.01
16.01
0
39
Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
368965.931
0.0
750031.655
0.0
1094798.0
0.0
1094798.0
0.0
0.0
750031.655
0.0
1094798.0
0.0
593262.012
144669.85
364932.6666666667
750031.655
0.0
368965.931
368965.931
0.0
776714.06
0.0
2189596.0
0.0
0.0
723349.25
0.0
0.0
0.0
0.0
750031.655
0.0
2189596.0
0.0
0.0
0.0
0.0
0.0
750031.655
0.0
2189596.0
0.0
0.0
0.0
0.0
0.0
776714.06
0.0
2189596.0
0.0
0.0
723349.25
0.0
0.0
0.0
0.0
988770.02
241116.41666666663
103335.60714285714
0.0
0.0
723349.25
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
388.342
14.88
14.88
0
123
36231.275
0.0
181156.375
0.0
0.0
0.0
0.0
0.0
0.0
181156.375
0.0
0.0
0.0
72462.55
0.0
0.0
181156.375
0.0
36231.275
36231.275
0.0
362312.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
181156.375
0.0
0.0
0.0
0.0
0.0
0.0
0.0
181156.375
0.0
0.0
0.0
0.0
0.0
0.0
0.0
362312.75
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
120770.91666666669
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
563.5032
16.03
16.03
0
33
15027.755
0.0
75138.775
0.0
0.0
0.0
0.0
0.0
0.0
75138.775
0.0
0.0
0.0
0.0
30055.51
0.0
75138.775
0.0
15027.755
15027.755
0.0
0.0
0.0
0.0
0.0
0.0
150277.55
0.0
0.0
0.0
0.0
75138.775
0.0
0.0
0.0
0.0
0.0
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156.0767
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0
7
Histidine
C1=C(NC=N1)CC(C(=O)O)N
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
24875.019
0.0
124375.095
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124375.095
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24875.019
24875.019
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248750.19
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
624.5559
16.11
16.11
0
9
DG(17:1/18:1/0:0); [M+NH4]+ C38H74N1O5
nan
nan
23868.6846
54458.168
0.0
0.0
64885.255
0.0
64885.255
0.0
54458.168
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23868.6846
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108916.336
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0.0
358.1431
4.29
4.29
0
88
SCHEMBL649003
CN(C)CCCSCC(=O)C1(c2cc(Cl)c(Cl)cc2)CCC1
"InChI=1S/C17H23Cl2NOS/c1-20(2)9-4-10-22-12-16(21)17(7-3-8-17)13-5-6-14(18)15(19)11-13/h5-6,11H,3-4,7-10,12H2,1-2H3"
86671.101
107585.595
86449.2
0.0
156673.31
82647.4
156673.31
82647.4
107585.595
86449.2
0.0
156673.31
82647.4
97249.004
76093.198
115635.435
86449.2
0.0
86671.101
86671.101
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172898.4
0.0
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107585.595
0.0
0.0
0.0
0.0
0.0
215171.19
252.1088
0.8
0.8
0
164
2'-deoxyadenosine CollisionEnergy:205060
Nc1ncnc2c1ncn2C1CC(O)C(CO)O1
"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1"
36998.412
0.0
184992.06
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184992.06
0.0
0.0
0.0
37782.734
36214.09
0.0
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36998.412
36998.412
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188913.67
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0.0
0.0
181070.45
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0.0
0.0
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188913.67
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181070.45
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0.0
0.0
62971.223333333335
60356.81666666667
25867.207142857143
0.0
0.0
181070.45
0.0
0.0
0.0
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0.0
0.0
0.0
0.0
361.234
13.85
13.85
0
127
84424.06999999999
0.0
81881.585
0.0
191921.235
148317.53
191921.235
148317.53
0.0
81881.585
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191921.235
148317.53
0.0
168848.14
113412.92166666668
81881.585
0.0
84424.06999999999
84424.06999999999
0.0
0.0
0.0
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0.0
163763.17
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383842.47
296635.06
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163763.17
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383842.47
296635.06
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127947.49
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0.0
0.0
0.0
0.0
0.0
189.1233
1.84
1.84
0
50
Glycyl-L-leucine CollisionEnergy:102040
CC(C)CC(N=C(O)CN)C(=O)O
"InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1"
429015.794
0.0
1745818.0
0.0
399260.97
0.0
399260.97
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0.0
1745818.0
0.0
399260.97
0.0
858031.5879999999
0.0
133086.99
1745818.0
0.0
429015.794
429015.794
0.0
3491636.0
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0.0
0.0
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1745818.0
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1745818.0
0.0
798521.94
0.0
0.0
0.0
0.0
0.0
3491636.0
0.0
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0.0
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1430052.6466666665
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
209.092
1.55
1.55
0
317
L-kynurenine CollisionEnergy:205060
Nc1ccccc1C(=O)CC(N)C(=O)O
"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1"
106992.36000000002
0.0
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213984.72000000003
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106992.36000000002
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475.3036
8.82
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0
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22846.878
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164
Massbank:EQ330404 Adenosine|(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
70535.99399999999
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182231.92
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480.2749
9.6
9.6
0
89
12676.294
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63381.47
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63381.47
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281.1132
1.37
1.37
0
7
Spectral Match to Phe-Leu from NIST14
nan
nan
141746.112
0.0
62232.96
0.0
646497.6
0.0
646497.6
0.0
0.0
62232.96
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283492.224
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62232.96
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141746.112
141746.112
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124465.92
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543.1308
0.71
0.71
0
30
102449.018
0.0
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458485.72
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19
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4257124.9
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37874.9175
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344343.76666666666
169218.71
0.0
151499.67
1033031.3
0.0
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151499.67
0.0
0.0
151499.67
0.0
0.0
176.1029
0.75
0.75
0
200
Spectral Match to L-Citrulline from NIST14
C(C[C@@H](C(=O)O)N)CNC(=O)N
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
13416.197
0.0
67080.985
0.0
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67080.985
0.0
0.0
0.0
0.0
26832.394
0.0
67080.985
0.0
13416.197
13416.197
0.0
0.0
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134161.97
0.0
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0.0
0.0
67080.985
0.0
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0.0
0.0
0.0
67080.985
0.0
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0.0
0.0
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0.0
0.0
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0.0
0.0
134161.97
0.0
0.0
0.0
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0.0
44720.65666666667
19165.995714285717
0.0
0.0
134161.97
0.0
0.0
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0.0
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0.0
0.0
0.0
0.0
358.27
6.36
6.36
0
129
106689.2
0.0
0.0
0.0
533446.0
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533446.0
0.0
0.0
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533446.0
0.0
213378.4
0.0
177815.33333333334
0.0
0.0
106689.2
106689.2
0.0
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0.0
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0.0
0.0
0.0
0.0
446.3627
14.89
14.89
0
101
Phe-C19:0
CCCCCCCCCCCCCCCCCCC(NC(C(O)=O)CC1=CC=CC=C1)=O
InChI=1S/C28H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(30)29-26(28(31)32)24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,29,30)(H,31,32)
95869.712
0.0
104178.71
0.0
375169.85
0.0
375169.85
0.0
0.0
104178.71
0.0
375169.85
0.0
74863.95999999999
116875.464
125056.61666666664
104178.71
0.0
95869.712
95869.712
0.0
0.0
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374319.8
0.0
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208357.42
0.0
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0.0
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0.0
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0.0
188009.95
0.0
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250113.2333333333
69452.47333333334
29765.345714285715
0.0
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0.0
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276.1078
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0.9
0
10
161403.72
0.0
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538012.4
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626.5716
16.35
16.35
0
9
DG(17:0/18:1/0:0); [M+NH4]+ C38H76N1O5
nan
nan
63340.60600000001
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316703.03
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63340.60600000001
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42
RIDOGREL
O=C(O)CCCCON=C(c1cnccc1)c1cc(C(F)(F)F)ccc1
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584.5246
15.9
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DG(16:0/16:1/0:0); [M+NH4]+ C35H70N1O5
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14.95
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159.0764
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200
Spectral Match to L-Arginine from NIST14
nan
nan
37734.672
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427.2915
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229.1182
0.87
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247
Spectral Match to Leu-Pro from NIST14
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1
17364.45
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301.0706
7.63
7.63
0
34
Tectorigenin
O=C1C(=COC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(O)=CC3
InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
174879.51499999998
0.0
511203.7
0.0
363193.875
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511203.7
0.0
363193.875
0.0
349759.03
0.0
121064.625
511203.7
0.0
174879.51499999998
174879.51499999998
0.0
1022407.4
0.0
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511203.7
0.0
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726387.75
0.0
0.0
0.0
0.0
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1022407.4
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0.0
0.0
0.0
582931.7166666667
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0.0
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0.0
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0.0
0.0
0.0
0.0
0.0
0.0
209.1033
0.74
0.74
0
40
13505.377
0.0
0.0
67526.885
0.0
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0.0
0.0
0.0
0.0
67526.885
0.0
0.0
27010.754
0.0
0.0
0.0
67526.885
13505.377
13505.377
0.0
0.0
135053.77
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33763.4425
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135053.77
0.0
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403.2482
10.06
10.06
0
254
54065.76
0.0
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180219.2
77236.8
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0.0
0.0
0.0
0.0
0.0
285.0757
9.28
9.28
0
34
NCGC00017369-11!5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(O)=CC(O)=C3
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
11075.6945
0.0
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55378.4725
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55378.4725
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22151.389000000003
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18459.490833333333
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11075.6945
11075.6945
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36918.98166666667
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905.5733
18.37
18.37
0
116
70267.8
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351339.0
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631.5269
16.35
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106
85550.406
103788.33
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51894.165
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69192.22
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246.1335
1.17
1.17
0
10
29178.840000000004
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145894.2
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48631.4
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29178.840000000004
29178.840000000004
0.0
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291788.4
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291788.4
0.0
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97262.8
41684.05714285715
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0.0
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291788.4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
879.544
13.99
13.99
0
150
77376.4185
170731.295
0.0
60957.1875
0.0
155193.61
0.0
155193.61
170731.295
0.0
60957.1875
0.0
155193.61
50228.797
104524.04
108641.635
0.0
60957.1875
77376.4185
77376.4185
129229.61
0.0
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310387.22
129229.61
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212232.98
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155193.61
129229.61
0.0
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155193.61
129229.61
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310387.22
115844.24125
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110537.74071428573
113820.86333333334
121914.375
0.0
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170731.295
121914.375
0.0
129229.61
121914.375
0.0
212232.98
281.1132
2.76
2.76
0
292
Spectral Match to .alpha.-L-Asp-L-Phe from NIST14
nan
nan
312562.496
122607.57
869063.4500000001
268881.375
228492.11
73767.975
228492.11
73767.975
122607.57
869063.4500000001
268881.375
228492.11
73767.975
472539.542
152585.45
141622.55166666667
869063.4500000001
268881.375
312562.496
312562.496
245215.14
1122735.6
537762.75
456984.22
0.0
0.0
615391.3
0.0
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147535.95
245215.14
869063.4500000001
537762.75
456984.22
0.0
0.0
0.0
73767.975
245215.14
869063.4500000001
537762.75
456984.22
0.0
0.0
0.0
73767.975
245215.14
1122735.6
537762.75
456984.22
0.0
0.0
615391.3
0.0
0.0
147535.95
195744.4725
526573.2733333333
254309.0833333333
220843.59142857144
81738.38
537762.75
615391.3
0.0
147535.95
122607.57
537762.75
0.0
245215.14
537762.75
0.0
0.0
235.1652
0.75
0.75
0
7
17717.573
0.0
0.0
0.0
88587.865
0.0
88587.865
0.0
0.0
0.0
0.0
88587.865
0.0
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0.0
29529.28833333333
0.0
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17717.573
17717.573
0.0
0.0
0.0
177175.73
0.0
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0.0
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177175.73
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0.0
0.0
0.0
453.2095
1.91
1.91
0
121
18915.734
0.0
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94578.67
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18915.734
18915.734
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189157.34
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189157.34
0.0
0.0
189157.34
0.0
0.0
294.1338
4.08
4.08
0
38
N-[2-(5-chloroindol-3-yl)ethyl]propanamide CollisionEnergy:102040
CCC(O)=NCCc1c[nH]c2ccc(Cl)cc12
"InChI=1S/C13H15ClN2O/c1-2-13(17)15-6-5-9-8-16-12-4-3-10(14)7-11(9)12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)"
80977.19399999999
178823.0
0.0
0.0
226062.97
0.0
226062.97
0.0
178823.0
0.0
0.0
226062.97
0.0
161954.38799999998
0.0
134961.99
0.0
0.0
80977.19399999999
80977.19399999999
357646.0
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452125.94
0.0
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357646.0
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452125.94
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357646.0
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89411.5
150708.64666666667
0.0
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119215.33333333331
0.0
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178823.0
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485.2604
4.33
4.33
0
50
100878.80999999998
0.0
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182772.83
0.0
321621.22
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5
Spectral Match to L-Tyrosine from NIST14
nan
nan
49434.078
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115
cyclo-(Thr-Pro)
34153.812
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189.1233
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7
Massbank:KO003027 Gly-Leu|Glycyl-L-leucine|Glycyl-leucine
NCC(=O)N[C@@H](CC(C)C)C(O)=O
1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
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328.0815
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181.0971
0.9
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312
Spectral Match to L-Tyrosine from NIST14
C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
3845283.65
2467232.75
6816749.0
2038576.0
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0.0
2467232.75
6816749.0
2038576.0
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7690567.3
0.0
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6816749.0
2038576.0
3845283.65
3845283.65
4934465.5
13633498.0
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4934465.5
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2252904.375
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0.0
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1644821.8333333333
4077152.0
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4934465.5
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211.1441
4.97
4.97
0
40
Massbank:PR311142 Cyclo(leucylprolyl)
O=C1NC(C(=O)N2CCCC12)CC(C)C
1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
40321.76
0.0
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201608.8
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201608.8
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201608.8
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80643.51999999999
67202.93333333333
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40321.76
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403217.6
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201608.8
0.0
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201608.8
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403217.6
0.0
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134405.86666666667
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0.0
174.0872
0.8
0.8
0
243
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0.0
615.4958
15.97
15.97
0
44
81572.60900000001
0.0
74630.875
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0.0
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89454.962
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0.0
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49753.91666666666
21323.10714285714
0.0
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294.1183
0.89
0.89
0
10
N-ACETYLMURAMIC ACID
C[C@H](C(=O)O)O[C@@H]1[C@H](C(O)O[C@H](CO)[C@H]1O)/N=C(/C)\\O
"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1"
10844.115
0.0
54220.575
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54220.575
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21688.23
0.0
54220.575
0.0
10844.115
10844.115
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
635.4147
8.34
8.34
0
62
140443.70500000002
0.0
0.0
359433.9
0.0
342784.625
0.0
342784.625
0.0
0.0
359433.9
0.0
342784.625
143773.56
137113.85
114261.54166666669
0.0
359433.9
140443.70500000002
140443.70500000002
0.0
0.0
718867.8
0.0
0.0
0.0
0.0
0.0
0.0
685569.25
0.0
0.0
718867.8
0.0
0.0
0.0
0.0
342784.625
0.0
0.0
718867.8
0.0
0.0
0.0
0.0
342784.625
0.0
0.0
718867.8
0.0
0.0
0.0
0.0
0.0
0.0
685569.25
179716.95
0.0
228523.0833333333
200633.86428571428
0.0
718867.8
0.0
0.0
685569.25
0.0
718867.8
0.0
0.0
718867.8
0.0
0.0
593.2501
6.26
6.26
0
74
14444.458
0.0
72222.29
0.0
0.0
0.0
0.0
0.0
0.0
72222.29
0.0
0.0
0.0
0.0
28888.916
0.0
72222.29
0.0
14444.458
14444.458
0.0
0.0
0.0
0.0
0.0
0.0
144444.58
0.0
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0.0
0.0
72222.29
0.0
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0.0
0.0
0.0
0.0
0.0
72222.29
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
144444.58
0.0
0.0
0.0
0.0
0.0
48148.19333333333
20634.94
0.0
0.0
144444.58
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
524.3707
12.11
12.11
0
39
Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14
nan
nan
13398.28
0.0
0.0
0.0
66991.4
0.0
66991.4
0.0
0.0
0.0
0.0
66991.4
0.0
26796.56
0.0
22330.466666666664
0.0
0.0
13398.28
13398.28
0.0
0.0
0.0
133982.8
0.0
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0.0
0.0
0.0
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0.0
0.0
0.0
133982.8
0.0
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133982.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
133982.8
0.0
0.0
0.0
0.0
0.0
0.0
0.0
44660.93333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
390.1661
3.78
3.78
0
27
222248.4
0.0
0.0
0.0
1111242.0
0.0
1111242.0
0.0
0.0
0.0
0.0
1111242.0
0.0
444496.8
0.0
370414.0
0.0
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222248.4
222248.4
0.0
0.0
0.0
2222484.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
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0.0
2222484.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2222484.0
0.0
0.0
0.0
0.0
0.0
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2222484.0
0.0
0.0
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0.0
0.0
0.0
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740828.0
0.0
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0.0
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0.0
0.0
0.0
0.0
0.0
0.0
606.2878
5.36
5.36
0
1
33908.666
0.0
0.0
169543.33
0.0
0.0
0.0
0.0
0.0
0.0
169543.33
0.0
0.0
67817.332
0.0
0.0
0.0
169543.33
33908.666
33908.666
0.0
0.0
339086.66
0.0
0.0
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0.0
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339086.66
0.0
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339086.66
0.0
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0.0
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0.0
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0.0
339086.66
0.0
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0.0
0.0
0.0
84771.665
0.0
0.0
48440.95142857143
0.0
339086.66
0.0
0.0
0.0
0.0
339086.66
0.0
0.0
339086.66
0.0
0.0
915.6239
14.88
14.88
0
19
24152.773
0.0
0.0
0.0
120763.865
0.0
120763.865
0.0
0.0
0.0
0.0
120763.865
0.0
48305.546
0.0
40254.621666666666
0.0
0.0
24152.773
24152.773
0.0
0.0
0.0
241527.73
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
241527.73
0.0
0.0
0.0
0.0
0.0
0.0
0.0
241527.73
0.0
0.0
0.0
0.0
0.0
0.0
0.0
241527.73
0.0
0.0
0.0
0.0
0.0
0.0
0.0
80509.24333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
265.1159
4.35
4.35
0
123
23643.358
0.0
0.0
0.0
118216.79
0.0
118216.79
0.0
0.0
0.0
0.0
118216.79
0.0
47286.716
0.0
39405.596666666665
0.0
0.0
23643.358
23643.358
0.0
0.0
0.0
236433.58
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
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236433.58
0.0
0.0
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236433.58
0.0
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0.0
0.0
0.0
0.0
236433.58
0.0
0.0
0.0
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0.0
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0.0
78811.19333333333
0.0
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0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
237.0869
1.45
1.45
0
317
Formylkynurenine
17062.35
0.0
0.0
0.0
85311.75
0.0
85311.75
0.0
0.0
0.0
0.0
85311.75
0.0
34124.7
0.0
28437.25
0.0
0.0
17062.35
17062.35
0.0
0.0
0.0
170623.5
0.0
0.0
0.0
0.0
0.0
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0.0
0.0
170623.5
0.0
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0.0
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170623.5
0.0
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170623.5
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56874.5
0.0
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0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
210.022
4.47
4.47
0
115
15105.598000000002
0.0
0.0
0.0
75527.99
0.0
75527.99
0.0
0.0
0.0
0.0
75527.99
0.0
30211.196000000004
0.0
25175.99666666667
0.0
0.0
15105.598000000002
15105.598000000002
0.0
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151055.98
0.0
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151055.98
0.0
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151055.98
0.0
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151055.98
0.0
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50351.99333333334
0.0
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0.0
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
551.5031
16.25
16.25
0
33
AEG(o-16:2/16:0)
nan
nan
110083.38
0.0
550416.9
0.0
0.0
0.0
0.0
0.0
0.0
550416.9
0.0
0.0
0.0
220166.76
0.0
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550416.9
0.0
110083.38
110083.38
0.0
1100833.8
0.0
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366944.6
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0.0
524.1968
0.84
0.84
0
312
21776.927
0.0
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108884.635
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108884.635
43553.854
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36294.87833333333
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21776.927
21776.927
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54442.3175
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31109.895714285714
72589.75666666667
0.0
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0.0
0.0
0.0
217769.27
0.0
0.0
217769.27
0.0
425.2873
13.62
13.62
0
30
19017.492
0.0
0.0
0.0
95087.46
0.0
95087.46
0.0
0.0
0.0
0.0
95087.46
0.0
38034.984
0.0
31695.820000000003
0.0
0.0
19017.492
19017.492
0.0
0.0
0.0
190174.92
0.0
0.0
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190174.92
0.0
0.0
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190174.92
0.0
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190174.92
0.0
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0.0
0.0
0.0
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0.0
63391.64000000001
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
170.1004
1.45
1.45
0
40
16230.616
0.0
0.0
0.0
81153.08
0.0
81153.08
0.0
0.0
0.0
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81153.08
0.0
32461.232
0.0
27051.02666666667
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16230.616
16230.616
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162306.16
0.0
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162306.16
0.0
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162306.16
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162306.16
0.0
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54102.05333333334
0.0
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397.2143
13.7
13.7
0
75
36467.4
0.0
182337.0
0.0
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0.0
0.0
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182337.0
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34761.938
38172.862
0.0
182337.0
0.0
36467.4
36467.4
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173809.69
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190864.31
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182337.0
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173809.69
0.0
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190864.31
0.0
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57936.56333333333
63621.43666666667
27266.33
0.0
0.0
190864.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
340.3573
15.19
15.19
0
30
30657.85
0.0
153289.25
0.0
0.0
0.0
0.0
0.0
0.0
153289.25
0.0
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61315.7
0.0
153289.25
0.0
30657.85
30657.85
0.0
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306578.5
0.0
0.0
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153289.25
0.0
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153289.25
0.0
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0.0
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306578.5
0.0
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102192.83333333331
43796.92857142857
0.0
0.0
306578.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
332.1815
0.9
0.9
0
197
51187.066
0.0
255935.33
0.0
0.0
0.0
0.0
0.0
0.0
255935.33
0.0
0.0
0.0
102374.132
0.0
0.0
255935.33
0.0
51187.066
51187.066
0.0
511870.66
0.0
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255935.33
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255935.33
0.0
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511870.66
0.0
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170623.55333333332
0.0
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0.0
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
279.1008
1.38
1.38
0
61
Spectral Match to L-.gamma.-Glutamyl-L-glutamic Acid from NIST14
nan
nan
13892.753
0.0
0.0
69463.765
0.0
0.0
0.0
0.0
0.0
0.0
69463.765
0.0
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27785.506
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69463.765
13892.753
13892.753
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138927.53
0.0
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138927.53
0.0
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138927.53
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138927.53
0.0
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34731.8825
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19846.79
0.0
138927.53
0.0
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138927.53
0.0
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138927.53
0.0
0.0
453.3252
11.27
11.27
0
143
11839.026
0.0
0.0
0.0
59195.13
0.0
59195.13
0.0
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59195.13
0.0
23678.052
0.0
19731.71
0.0
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11839.026
11839.026
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118390.26
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118390.26
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118390.26
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0.0
118390.26
0.0
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39463.42
0.0
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215.139
2.04
2.04
0
115
18185.228
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90926.14
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90926.14
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90926.14
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36370.456
30308.713333333333
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18185.228
18185.228
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181852.28
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90926.14
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181852.28
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60617.426666666666
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0.0
338.9821
8.99
8.99
0
34
47303.786
0.0
146173.07
0.0
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90345.86
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90345.86
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146173.07
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90345.86
30903.212
63704.36
30115.286666666667
146173.07
0.0
47303.786
47303.786
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154516.06
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137830.08
0.0
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180691.72
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146173.07
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90345.86
0.0
154516.06
0.0
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0.0
0.0
137830.08
0.0
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180691.72
0.0
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106173.93333333332
45503.11428571429
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0.0
137830.08
0.0
180691.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
610.1839
15.62
15.62
0
255
Baccatin III
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C
InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
11050.444
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55252.22
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55252.22
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22100.888
18417.406666666662
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918.7236
16.55
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0
155
23362.71
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367.05
5.98
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58
95185.491
268990.97
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134495.485
137957.65666666665
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76854.56285714285
179327.31333333332
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268990.97
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537981.94
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453.1976
1.5
1.5
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50
18213.13
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30355.216666666664
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18213.13
18213.13
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60710.43333333333
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0.0
261.1598
6.46
6.46
0
40
ReSpect:PM014407 Cyclo(Phe-Leu)
CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)
400804.8520000001
0.0
0.0
1574403.6
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429620.66
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1574403.6
0.0
429620.66
577653.044
223956.66
143206.88666666666
0.0
1574403.6
400804.8520000001
400804.8520000001
0.0
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2598186.0
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290079.22
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550621.2
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569162.1
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2598186.0
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290079.22
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284581.05
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284581.05
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2598186.0
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290079.22
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569162.1
722066.3049999999
0.0
373261.0999999999
572578.36
96693.07333333332
2598186.0
0.0
550621.2
569162.1
0.0
2598186.0
290079.22
0.0
2598186.0
290079.22
0.0
803.5305
14.93
14.93
0
19
217693.127
0.0
0.0
1036680.95
0.0
51784.685
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51784.685
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1036680.95
0.0
51784.685
435386.254
0.0
17261.561666666665
0.0
1036680.95
217693.127
217693.127
0.0
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2073361.9
0.0
103569.37
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2073361.9
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103569.37
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2073361.9
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544232.8175
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310990.1814285714
34523.12333333333
2073361.9
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2073361.9
103569.37
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2073361.9
103569.37
0.0
916.6347
14.92
14.92
0
19
166060.84
0.0
830304.2
0.0
0.0
0.0
0.0
0.0
0.0
830304.2
0.0
0.0
0.0
332121.68
0.0
0.0
830304.2
0.0
166060.84
166060.84
0.0
1660608.4
0.0
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830304.2
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830304.2
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1660608.4
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553536.1333333333
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
311.1236
1.49
1.49
0
61
Massbank:PR311057 Glutamyltyrosine
O=C(O)C(N)CCC(=O)NC(C(=O)O)CC1=CC=C(O)C=C1
1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)
372072.88
0.0
0.0
0.0
1860364.4
0.0
1860364.4
0.0
0.0
0.0
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1860364.4
0.0
744145.76
0.0
620121.4666666667
0.0
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372072.88
372072.88
0.0
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3720728.8
0.0
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3720728.8
0.0
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3720728.8
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3720728.8
0.0
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1240242.933333333
0.0
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0.0
0.0
0.0
0.0
0.0
0.0
0.0
227.1026
1.51
1.51
0
50
Spectral Match to PyroGlu-Pro from NIST14
C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O
InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
192737.65
0.0
963688.25
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963688.25
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202567.74
182907.56
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963688.25
0.0
192737.65
192737.65
0.0
1012838.7
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337612.9
304845.93333333335
130648.25714285715
0.0
0.0
914537.8
0.0
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0.0
699.5685
18.22
18.22
0
51
18110.819
0.0
90554.095
0.0
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90554.095
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36221.638
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90554.095
0.0
18110.819
18110.819
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60369.39666666667
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0.0
1477.0036
9.27
9.27
0
46
65540.117
149383.735
178316.85
0.0
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0.0
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149383.735
178316.85
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131080.234
49794.57833333333
178316.85
0.0
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65540.117
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298767.47
265.1546
3.96
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0
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648.5195
15.16
15.16
0
36
35199.21
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577.5164
16.64
16.64
0
352
11373.354
0.0
56866.77
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710.6658
17.17
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797317.5
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509.287
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311950.882
322255.145
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229171.284
229171.284
477649.9
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254308.53
477649.9
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254308.53
0.0
247.1288
1.96
1.96
0
292
Spectral Match to Asp-Leu from NIST14
nan
nan
12924.9516
64624.758
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633.542
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0.0
0.0
0.0
0.0
0.0
586.1763
0.78
0.78
0
76
65868.236
0.0
0.0
0.0
61446.88
267894.3
61446.88
267894.3
0.0
0.0
0.0
61446.88
267894.3
131736.472
0.0
109780.39333333333
0.0
0.0
65868.236
65868.236
0.0
0.0
0.0
122893.76
535788.6
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
122893.76
535788.6
0.0
0.0
0.0
0.0
0.0
0.0
122893.76
535788.6
0.0
0.0
0.0
0.0
0.0
0.0
122893.76
535788.6
0.0
0.0
0.0
0.0
0.0
133947.15
40964.58666666666
0.0
76541.22857142857
178596.19999999998
0.0
0.0
0.0
0.0
0.0
0.0
535788.6
0.0
0.0
535788.6
0.0
429.3185
12.67
12.67
0
30
16523.731
0.0
0.0
0.0
82618.655
0.0
82618.655
0.0
0.0
0.0
0.0
82618.655
0.0
33047.462
0.0
27539.551666666663
0.0
0.0
16523.731
16523.731
0.0
0.0
0.0
165237.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
165237.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
165237.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
165237.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
55079.10333333333
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
259.1228
14.19
14.19
0
82
76884.06899999999
0.0
384420.345
0.0
0.0
0.0
0.0
0.0
0.0
384420.345
0.0
0.0
0.0
75773.23199999999
77994.906
0.0
384420.345
0.0
76884.06899999999
76884.06899999999
0.0
378866.16
0.0
0.0
0.0
0.0
389974.53
0.0
0.0
0.0
0.0
384420.345
0.0
0.0
0.0
0.0
0.0
0.0
0.0
384420.345
0.0
0.0
0.0
0.0
0.0
0.0
0.0
378866.16
0.0
0.0
0.0
0.0
389974.53
0.0
0.0
0.0
0.0
126288.72
129991.51
55710.647142857146
0.0
0.0
389974.53
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
282.279
13.6
13.6
0
83
phytosphingosine
CCCCCCCCCCCCCCC(O)C(O)C(N)CO
"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1"
158912.291
205755.7
300383.655
0.0
288422.1
0.0
288422.1
0.0
205755.7
300383.655
0.0
288422.1
0.0
269382.06
48442.522
164725.93333333332
300383.655
0.0
158912.291
158912.291
411511.4
358554.7
0.0
576844.2
0.0
0.0
242212.61
0.0
0.0
0.0
411511.4
300383.655
0.0
576844.2
0.0
0.0
0.0
0.0
411511.4
300383.655
0.0
576844.2
0.0
0.0
0.0
0.0
411511.4
358554.7
0.0
576844.2
0.0
0.0
242212.61
0.0
0.0
0.0
102877.85
311799.6333333333
80737.53666666667
93389.14428571428
137170.46666666667
0.0
242212.61
0.0
0.0
205755.7
0.0
0.0
411511.4
0.0
0.0
0.0
1342.9263
15.67
15.67
0
111
20500.931
0.0
0.0
0.0
102504.655
0.0
102504.655
0.0
0.0
0.0
0.0
102504.655
0.0
41001.862
0.0
34168.21833333333
0.0
0.0
20500.931
20500.931
0.0
0.0
0.0
205009.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
205009.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
205009.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
205009.31
0.0
0.0
0.0
0.0
0.0
0.0
0.0
68336.43666666666
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
863.526
17.44
17.44
0
116
64654.31999999999
0.0
0.0
323271.6
0.0
0.0
0.0
0.0
0.0
0.0
323271.6
0.0
0.0
129308.63999999998
0.0
0.0
0.0
323271.6
64654.31999999999
64654.31999999999
0.0
0.0
646543.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
646543.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
646543.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
646543.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
161635.8
0.0
0.0
92363.31428571428
0.0
646543.2
0.0
0.0
0.0
0.0
646543.2
0.0
0.0
646543.2
0.0
0.0
960.6237
14.97
14.97
0
19
388109.3566
0.0
1473909.9
0.0
407421.375
59215.508
407421.375
59215.508
0.0
1473909.9
0.0
407421.375
59215.508
776218.7131999999
0.0
155545.62766666667
1473909.9
0.0
388109.3566
388109.3566
0.0
2947819.8
0.0
814842.75
118431.016
0.0
0.0
0.0
0.0
0.0
0.0
1473909.9
0.0
814842.75
118431.016
0.0
0.0
0.0
0.0
1473909.9
0.0
814842.75
118431.016
0.0
0.0
0.0
0.0
2947819.8
0.0
814842.75
118431.016
0.0
0.0
0.0
0.0
0.0
29607.754
1254220.85
0.0
16918.716571428573
39477.00533333333
0.0
0.0
0.0
0.0
0.0
0.0
118431.016
0.0
0.0
118431.016
0.0
460.2023
0.81
0.81
0
94
13986.767000000002
0.0
0.0
0.0
0.0
69933.835
0.0
69933.835
0.0
0.0
0.0
0.0
69933.835
27973.534000000003
0.0
23311.278333333332
0.0
0.0
13986.767000000002
13986.767000000002
0.0
0.0
0.0
0.0
139867.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
139867.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
139867.67
0.0
0.0
0.0
0.0
0.0
0.0
0.0
139867.67
0.0
0.0
0.0
0.0
0.0
34966.9175
0.0
0.0
19981.095714285715
46622.55666666667
0.0
0.0
0.0
0.0
0.0
0.0
139867.67
0.0
0.0
139867.67
0.0
531.3866
13.05
13.05
0
30
84152.0
220411.08
0.0
0.0
200348.92
0.0
200348.92
0.0
220411.08
0.0
0.0
200348.92
0.0
80139.568
88164.432
140253.33333333334
0.0
0.0
84152.0
84152.0
0.0
0.0
0.0
400697.84
0.0
440822.16
0.0
0.0
0.0
0.0
0.0
0.0
0.0
400697.84
0.0
440822.16
0.0
0.0
0.0
0.0
0.0
400697.84
0.0
440822.16
0.0
0.0
0.0
0.0
0.0
400697.84
0.0
440822.16
0.0
0.0
0.0
0.0
110205.54
133565.94666666668
0.0
62974.59428571428
146940.72
0.0
0.0
0.0
0.0
220411.08
0.0
0.0
0.0
0.0
0.0
440822.16
536.5763
17.36
17.36
0
30
191674.728
0.0
0.0
538545.85
0.0
419827.79
0.0
419827.79
0.0
0.0
538545.85
0.0
419827.79
283709.69
99639.766
139942.59666666665
0.0
538545.85
191674.728
191674.728
0.0
0.0
780611.7
0.0
637936.75
0.0
0.0
296480.0
0.0
201718.83
0.0
0.0
780611.7
0.0
637936.75
0.0
296480.0
100859.415
0.0
0.0
780611.7
0.0
637936.75
0.0
296480.0
100859.415
0.0
0.0
780611.7
0.0
637936.75
0.0
0.0
296480.0
0.0
201718.83
354637.1125
0.0
166066.27666666664
273821.04
212645.5833333333
780611.7
0.0
296480.0
201718.83
0.0
780611.7
637936.75
0.0
780611.7
637936.75
0.0
264.1279
6.44
6.44
0
224
15655.304999999998
0.0
0.0
0.0
78276.525
0.0
78276.525
0.0
0.0
0.0
0.0
78276.525
0.0
31310.61
0.0
26092.175
0.0
0.0
15655.304999999998
15655.304999999998
0.0
0.0
0.0
156553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
156553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
156553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
156553.05
0.0
0.0
0.0
0.0
0.0
0.0
0.0
52184.35
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
418.3679
14.77
14.77
0
8
28068.778
0.0
140343.89
0.0
0.0
0.0
0.0
0.0
0.0
140343.89
0.0
0.0
0.0
0.0
56137.556
0.0
140343.89
0.0
28068.778
28068.778
0.0
0.0
0.0
0.0
0.0
0.0
280687.78
0.0
0.0
0.0
0.0
140343.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
140343.89
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
280687.78
0.0
0.0
0.0
0.0
0.0
93562.59333333334
40098.25428571429
0.0
0.0
280687.78
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
243.1339
1.99
1.99
0
50
Spectral Match to PyroGlu-Ile from NIST14
O=C(N[C@H](C(O)=O)[C@@H](C)CC)[C@H]1NC(CC1)=O
InChI=1S/C11H18N2O4/c1-3-6(2)9(11(16)17)13-10(15)7-4-5-8(14)12-7/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7-,9-/m0/s1
12857.248
0.0
64286.24
0.0
0.0
0.0
0.0
0.0
0.0
64286.24
0.0
0.0
0.0
0.0
25714.496
0.0
64286.24
0.0
12857.248
12857.248
0.0
0.0
0.0
0.0
0.0
0.0
128572.48
0.0
0.0
0.0
0.0
64286.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
64286.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
128572.48
0.0
0.0
0.0
0.0
0.0
42857.49333333333
18367.49714285714
0.0
0.0
128572.48
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
816.6557
15.95
15.95
0
63
38437.872
0.0
0.0
0.0
192189.36
0.0
192189.36
0.0
0.0
0.0
0.0
192189.36
0.0
0.0
76875.74399999999
64063.12
0.0
0.0
38437.872
38437.872
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
384378.72
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
192189.36
0.0
0.0
0.0
0.0
0.0
0.0
0.0
192189.36
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
384378.72
0.0
0.0
128126.24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
457.3674
12.4
12.4
0
70
46475.078
0.0
232375.39
0.0
0.0
0.0
0.0
0.0
0.0
232375.39
0.0
0.0
0.0
52113.132
40837.024
0.0
232375.39
0.0
46475.078
46475.078
0.0
260565.66
0.0
0.0
0.0
0.0
204185.12
0.0
0.0
0.0
0.0
232375.39
0.0
0.0
0.0
0.0
0.0
0.0
0.0
232375.39
0.0
0.0
0.0
0.0
0.0
0.0
0.0
260565.66
0.0
0.0
0.0
0.0
204185.12
0.0
0.0
0.0
0.0
86855.22
68061.70666666667
29169.30285714285
0.0
0.0
204185.12
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
528.4257
15.06
15.06
0
178
100462.375
0.0
502311.875
0.0
0.0
0.0
0.0
0.0
0.0
502311.875
0.0
0.0
0.0
100320.294
100604.456
0.0
502311.875
0.0
100462.375
100462.375
0.0
501601.47
0.0
0.0
0.0
0.0
503022.28
0.0
0.0
0.0
0.0
502311.875
0.0
0.0
0.0
0.0
0.0
0.0
0.0
502311.875
0.0
0.0
0.0
0.0
0.0
0.0
0.0
501601.47
0.0
0.0
0.0
0.0
503022.28
0.0
0.0
0.0
0.0
167200.49
167674.09333333335
71860.32571428572
0.0
0.0
503022.28
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
172.1154
14.27
14.27
0
241
51431.934
0.0
0.0
0.0
257159.67
0.0
257159.67
0.0
0.0
0.0
0.0
257159.67
0.0
102863.868
0.0
85719.89
0.0
0.0
51431.934
51431.934
0.0
0.0
0.0
514319.34
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
514319.34
0.0
0.0
0.0
0.0
0.0
0.0
0.0
514319.34
0.0
0.0
0.0
0.0
0.0
0.0
0.0
514319.34
0.0
0.0
0.0
0.0
0.0
0.0
0.0
171439.78
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
232.118
0.83
0.83
0
10
Massbank:KO003629 Nalidixate|Nalidixic acid
CCN(C=1)c(n2)c(ccc(C)2)C(=O)C(C(O)=O)1
1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
255480.52
0.0
0.0
0.0
1277402.6
0.0
1277402.6
0.0
0.0
0.0
0.0
1277402.6
0.0
0.0
510961.04
425800.8666666667
0.0
0.0
255480.52
255480.52
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2554805.2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1277402.6
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1277402.6
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
2554805.2
0.0
0.0
851601.7333333334
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
758.5696
15.71
15.71
0
39
Spectral Match to 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14
nan
nan
66065.03
0.0
0.0
0.0
330325.15
0.0
330325.15
0.0
0.0
0.0
0.0
330325.15
0.0
132130.06
0.0
110108.38333333336
0.0
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66065.03
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CARBAZOLE CollisionEnergy:205060
c1ccc2c(c1)[nH]c1ccccc12
"InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H"
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Massbank:PR311057 Glutamyltyrosine
O=C(O)C(N)CCC(=O)NC(C(=O)O)CC1=CC=C(O)C=C1
1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)
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-8.187
-8
0.9588
0
1086
261
30
Cosine
0.9588
74.036
74
0.9619
0
1086
1049
30
Cosine
0.9619
-204.245
-204
0.9622
0
1086
408
30
Cosine
0.9622
-52.177
-52
0.9655
0
1086
456
30
Cosine
0.9655
44.026
44
0.9869
0
1086
1088
30
Cosine
0.9869
-62.204
-62
0.9801
0
1086
814
30
Cosine
0.9801
-172.277
-172
0.977
0
1086
479
30
Cosine
0.977
-24.0
-24
0.7304
0
684
419
14
Cosine
0.7304
-0.997
0
0.7718
0
684
517
14
Cosine
0.7718
3.521
3
0.8569
0
684
622
14
Cosine
0.8569
-141.034
-141
0.8066
0
684
690
14
Cosine
0.8066
-12.966
-12
0.8088
0
684
799
14
Cosine
0.8088
-27.995
-27
0.8335
0
645
643
171
Cosine
0.8335
-15.019
-15
0.8684
0
990
1011
82
Cosine
0.8684
-1.008
-1
0.9136
0
990
986
82
Cosine
0.9136
-14.016
-14
0.8717
0
990
1009
82
Cosine
0.8717
33.004
33
0.7163
0
370
528
257
Cosine
0.7163
18.988
18
0.7035
0
370
639
257
Cosine
0.7035
18.01
18
0.911
0
373
178
40
Cosine
0.911
-26.016
-26
0.9105
0
373
216
40
Cosine
0.9105
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-26
0.9266
0
373
295
40
Cosine
0.9266
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-14
0.9544
0
544
224
115
Cosine
0.9544
-14.015
-14
0.9475
0
544
416
115
Cosine
0.9475
-69.021
-69
0.8792
0
404
376
269
Cosine
0.8792
0.036
0
0.846
0
193
203
10
Cosine
0.846
-14.016
-14
0.8285
0
193
119
10
Cosine
0.8285
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-18
0.929
0
193
197
10
Cosine
0.929
17.974
17
0.8473
0
193
183
10
Cosine
0.8473
0.0
0
0.8249
0
193
242
10
Cosine
0.8249
-129.152
-129
0.8373
0
1200
1211
123
Cosine
0.8373
112.125
112
0.8497
0
1200
1199
123
Cosine
0.8497
-16.011
-16
0.8718
0
1165
1150
75
Cosine
0.8718
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-14
0.9178
0
1165
1143
75
Cosine
0.9178
-16.032
-16
0.913
0
1165
1111
75
Cosine
0.913
-42.047
-42
0.9251
0
1165
1091
75
Cosine
0.9251
-28.031
-28
0.9321
0
1165
1120
75
Cosine
0.9321
0.943
0
0.9561
0
1208
1205
261
Cosine
0.9561
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-128
0.8788
0
978
1173
19
Cosine
0.8788
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-14
0.8891
0
978
1071
19
Cosine
0.8891
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-158
0.836
0
978
1131
19
Cosine
0.836
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-158
0.8216
0
978
1145
19
Cosine
0.8216
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-128
0.8702
0
978
1162
19
Cosine
0.8702
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-162
0.7355
0
686
622
14
Cosine
0.7355
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-18
0.7007
0
686
626
14
Cosine
0.7007
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-14
0.934
0
195
228
337
Cosine
0.934
-0.0
0
0.9727
0
195
285
337
Cosine
0.9727
-28.031
-28
0.9243
0
414
216
40
Cosine
0.9243
37.99
37
0.9045
0
414
150
40
Cosine
0.9045
-14.016
-14
0.9431
0
414
617
40
Cosine
0.9431
-28.031
-28
0.9225
0
414
295
40
Cosine
0.9225
-48.0
-48
0.9527
0
414
675
40
Cosine
0.9527
-16.032
-16
0.9025
0
414
710
40
Cosine
0.9025
123.093
123
0.8475
0
255
480
115
Cosine
0.8475
-202.042
-202
0.852
0
255
850
115
Cosine
0.852
153.104
153
0.8677
0
255
536
115
Cosine
0.8677
73.078
73
0.8572
0
255
813
115
Cosine
0.8572
-1.049
-1
0.8067
0
1297
1204
57
Cosine
0.8067
370.309
370
0.9282
0
1297
1300
57
Cosine
0.9282
-28.031
-28
0.9373
0
259
151
50
Cosine
0.9373
-63.995
-63
0.8851
0
259
330
50
Cosine
0.8851
-11.964
-11
0.8987
0
259
313
50
Cosine
0.8987
-4.031
-4
0.8875
0
1544
1504
54
Cosine
0.8875
17.018
17
0.7864
0
1544
1528
54
Cosine
0.7864
17.027
17
0.8783
0
1544
1542
54
Cosine
0.8783
13.979
13
0.7795
0
1427
1323
36
Cosine
0.7795
-170.984
-170
0.8049
0
21
25
75
Cosine
0.8049
-41.027
-41
0.9049
0
21
23
75
Cosine
0.9049
-18.011
-18
0.8915
0
21
22
75
Cosine
0.8915
-59.037
-59
0.8392
0
21
24
75
Cosine
0.8392
5.048
5
0.9428
0
1432
1531
308
Cosine
0.9428
2.015
2
0.9522
0
890
883
13
Cosine
0.9522
-1.003
-1
0.8929
0
890
891
13
Cosine
0.8929
-79.956
-79
0.9564
0
890
931
13
Cosine
0.9564
3.995
3
0.9448
0
1163
1267
15
Cosine
0.9448
-174.088
-174
0.9502
0
1163
1102
15
Cosine
0.9502
30.011
30
0.9576
0
1163
1135
15
Cosine
0.9576
30.01
30
0.9532
0
1163
1144
15
Cosine
0.9532
14.016
14
0.9275
0
1163
1148
15
Cosine
0.9275
-30.011
-30
0.9513
0
1163
1166
15
Cosine
0.9513
0.001
0
0.9783
0
1163
1175
15
Cosine
0.9783
160.073
160
0.9491
0
1163
1184
15
Cosine
0.9491
-14.015
-14
0.945
0
1163
1250
15
Cosine
0.945
-16.021
-16
0.9187
0
1163
1260
15
Cosine
0.9187
-76.031
-76
0.8949
0
675
216
40
Cosine
0.8949
-10.009
-10
0.8891
0
675
150
40
Cosine
0.8891
-33.984
-33
0.9332
0
675
617
40
Cosine
0.9332
15.995
15
0.926
0
675
537
40
Cosine
0.926
-76.031
-76
0.9029
0
675
295
40
Cosine
0.9029
-17.027
-17
0.9026
0
560
553
5
Cosine
0.9026
-33.961
-33
0.9212
0
560
714
5
Cosine
0.9212
18.011
18
0.7121
0
1235
1233
19
Cosine
0.7121
-32.026
-32
0.7575
0
1235
1224
19
Cosine
0.7575
-96.058
-96
0.7528
0
1235
1238
19
Cosine
0.7528
-128.084
-128
0.712
0
1235
1239
19
Cosine
0.712
-0.983
0
0.934
0
841
869
113
Cosine
0.934
15.995
15
0.8752
0
855
792
62
Cosine
0.8752
-0.0
0
0.8445
0
855
821
62
Cosine
0.8445
2.015
2
0.9081
0
855
835
62
Cosine
0.9081
0.0
0
0.9819
0
1058
1154
241
Cosine
0.9819
-56.063
-56
0.8204
0
1013
1133
127
Cosine
0.8204
-72.04
-72
0.8733
0
1013
1155
127
Cosine
0.8733
-58.042
-58
0.9238
0
875
871
227
Cosine
0.9238
-164.109
-164
0.9608
0
852
441
30
Cosine
0.9608
-84.151
-84
0.971
0
852
1112
30
Cosine
0.971
-93.011
-93
0.9566
0
852
808
30
Cosine
0.9566
11.967
11
0.9707
0
852
1077
30
Cosine
0.9707
-28.031
-28
0.9557
0
1167
1104
30
Cosine
0.9557
-56.062
-56
0.9596
0
1167
1290
30
Cosine
0.9596
-224.25
-224
0.9562
0
1167
1515
30
Cosine
0.9562
130.063
130
0.8541
0
640
639
257
Cosine
0.8541
-103.028
-103
0.9708
0
82
803
30
Cosine
0.9708
-89.012
-89
0.9692
0
82
785
30
Cosine
0.9692
-89.012
-89
0.9704
0
82
775
30
Cosine
0.9704
-195.056
-195
0.9725
0
82
88
30
Cosine
0.9725
-193.048
-193
0.9644
0
82
1002
30
Cosine
0.9644
-78.08
-78
0.9622
0
82
787
30
Cosine
0.9622
-53.012
-53
0.9688
0
82
479
30
Cosine
0.9688
-23.059
-23
0.9623
0
82
818
30
Cosine
0.9623
88.052
88
0.8467
0
1025
1020
90
Cosine
0.8467
17.027
17
0.9308
0
1025
1029
90
Cosine
0.9308
-42.047
-42
0.8503
0
1282
1147
19
Cosine
0.8503
-14.017
-14
0.8627
0
1282
1248
19
Cosine
0.8627
14.017
14
0.9366
0
1282
1313
19
Cosine
0.9366
-60.058
-60
0.9103
0
1282
1277
19
Cosine
0.9103
-42.047
-42
0.8873
0
1282
1249
19
Cosine
0.8873
-58.006
-58
0.7835
0
1282
1222
19
Cosine
0.7835
-26.052
-26
0.7979
0
1282
1131
19
Cosine
0.7979
-170.13
-170
0.8163
0
1282
1071
19
Cosine
0.8163
-16.032
-16
0.8203
0
1282
1237
19
Cosine
0.8203
-114.066
-114
0.7998
0
1173
1071
19
Cosine
0.7998
-14.016
-14
0.8364
0
1173
1103
19
Cosine
0.8364
-14.017
-14
0.8372
0
1173
1116
19
Cosine
0.8372
30.012
30
0.8122
0
1173
1131
19
Cosine
0.8122
30.011
30
0.8056
0
1173
1145
19
Cosine
0.8056
0.001
0
0.9356
0
1173
1162
19
Cosine
0.9356
-42.047
-42
0.7817
0
1173
1248
19
Cosine
0.7817
-14.016
-14
0.8657
0
1173
1249
19
Cosine
0.8657
3.994
3
0.8603
0
1173
1277
19
Cosine
0.8603
-38.161
-38
0.9689
0
1037
456
30
Cosine
0.9689
-158.261
-158
0.9717
0
1037
479
30
Cosine
0.9717
-48.188
-48
0.9811
0
1037
814
30
Cosine
0.9811
-31.077
-31
0.9799
0
1037
887
30
Cosine
0.9799
7.875
7
0.9714
0
1037
916
30
Cosine
0.9714
0.0
0
0.9825
0
1037
1052
30
Cosine
0.9825
44.026
44
0.9795
0
1037
1057
30
Cosine
0.9795
30.01
30
0.9848
0
1037
1088
30
Cosine
0.9848
15.995
15
0.9723
0
1037
1112
30
Cosine
0.9723
4.031
4
0.9727
0
1037
1114
30
Cosine
0.9727
-10.021
-10
0.843
0
751
243
115
Cosine
0.843
-41.027
-41
0.9279
0
1094
1099
119
Cosine
0.9279
-16.031
-16
0.9531
0
1094
1095
119
Cosine
0.9531
-34.042
-34
0.7619
0
1094
1098
119
Cosine
0.7619
-56.062
-56
0.767
0
1314
1360
263
Cosine
0.767
-62.017
-62
0.9015
0
713
574
38
Cosine
0.9015
49.98
49
0.9434
0
713
768
38
Cosine
0.9434
-17.027
-17
0.8537
0
1199
1211
123
Cosine
0.8537
19.969
19
0.7967
0
1199
1196
123
Cosine
0.7967
-48.949
-48
0.749
0
411
529
207
Cosine
0.749
-62.964
-62
0.7482
0
411
641
207
Cosine
0.7482
-100.089
-100
0.8967
0
1041
1180
23
Cosine
0.8967
-40.068
-40
0.8877
0
1041
1272
23
Cosine
0.8877
-56.063
-56
0.8476
0
1041
1182
23
Cosine
0.8476
-44.026
-44
0.9279
0
1041
1038
23
Cosine
0.9279
88.053
88
0.9134
0
1041
1040
23
Cosine
0.9134
88.052
88
0.8958
0
1041
1042
23
Cosine
0.8958
-44.026
-44
0.9173
0
1041
1044
23
Cosine
0.9173
3.958
3
0.8808
0
1041
1274
23
Cosine
0.8808
-28.031
-28
0.8524
0
1263
1182
23
Cosine
0.8524
-56.062
-56
0.9361
0
1336
1298
54
Cosine
0.9361
-50.132
-50
0.7903
0
1336
1504
54
Cosine
0.7903
132.079
132
0.92
0
1126
1107
23
Cosine
0.92
88.053
88
0.8012
0
1126
1108
23
Cosine
0.8012
44.026
44
0.924
0
1126
1117
23
Cosine
0.924
-88.053
-88
0.8785
0
1126
1119
23
Cosine
0.8785
44.026
44
0.8454
0
1126
1127
23
Cosine
0.8454
132.079
132
0.8428
0
1126
1130
23
Cosine
0.8428
30.865
30
0.9589
0
808
748
30
Cosine
0.9589
-105.104
-105
0.9639
0
808
1054
30
Cosine
0.9639
-64.052
-64
0.8536
0
243
269
115
Cosine
0.8536
-43.972
-43
0.8639
0
243
536
115
Cosine
0.8639
-295.201
-295
0.8813
0
243
870
115
Cosine
0.8813
-18.01
-18
0.8618
0
243
244
115
Cosine
0.8618
-216.147
-216
0.8947
0
284
282
7
Cosine
0.8947
-170.093
-170
0.9181
0
1102
1267
15
Cosine
0.9181
-188.104
-188
0.9051
0
1102
1105
15
Cosine
0.9051
-14.016
-14
0.949
0
1102
1184
15
Cosine
0.949
-188.104
-188
0.9278
0
1102
1250
15
Cosine
0.9278
-204.099
-204
0.9369
0
1102
1135
15
Cosine
0.9369
-204.098
-204
0.9244
0
1102
1144
15
Cosine
0.9244
-188.105
-188
0.9061
0
1102
1148
15
Cosine
0.9061
-204.099
-204
0.9315
0
1102
1166
15
Cosine
0.9315
-174.087
-174
0.9462
0
1102
1175
15
Cosine
0.9462
-103.198
-103
0.9636
0
1054
263
30
Cosine
0.9636
-74.239
-74
0.9849
0
1054
748
30
Cosine
0.9849
-146.094
-146
0.9581
0
1054
1084
30
Cosine
0.9581
144.995
144
0.9594
0
1054
1007
30
Cosine
0.9594
17.026
17
0.8228
0
1504
1502
54
Cosine
0.8228
-50.016
-50
0.8921
0
721
546
102
Cosine
0.8921
-33.984
-33
0.9555
0
721
668
102
Cosine
0.9555
94.018
94
0.8285
0
757
756
58
Cosine
0.8285
260.065
260
0.8716
0
874
574
38
Cosine
0.8716
-149.164
-149
0.8244
0
874
369
38
Cosine
0.8244
-23.067
-23
0.8451
0
494
304
61
Cosine
0.8451
-27.995
-27
0.8419
0
494
452
61
Cosine
0.8419
2.014
2
0.8721
0
816
845
89
Cosine
0.8721
15.995
15
0.9362
0
816
979
89
Cosine
0.9362
45.969
45
0.8411
0
816
994
89
Cosine
0.8411
-3.019
-3
0.9118
0
1228
1226
155
Cosine
0.9118
-1.004
-1
0.9409
0
1228
1227
155
Cosine
0.9409
-244.219
-244
0.8857
0
1228
1457
155
Cosine
0.8857
-32.026
-32
0.7498
0
1239
1238
19
Cosine
0.7498
79.062
79
0.7211
0
1239
1237
19
Cosine
0.7211
-0.0
0
0.9609
0
416
224
115
Cosine
0.9609
-56.063
-56
0.8726
0
1294
1212
178
Cosine
0.8726
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-28
0.8605
0
1294
1271
178
Cosine
0.8605
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-79
0.7944
0
881
898
188
Cosine
0.7944
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-79
0.9383
0
932
891
13
Cosine
0.9383
4.019
4
0.7364
0
932
899
13
Cosine
0.7364
22.994
22
0.7513
0
932
900
13
Cosine
0.7513
1.012
1
0.8628
0
932
903
13
Cosine
0.8628
-1.003
-1
0.8939
0
932
931
13
Cosine
0.8939
-15.027
-15
0.7738
0
932
949
13
Cosine
0.7738
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-37
0.749
0
932
951
13
Cosine
0.749
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-13
0.8381
0
932
959
13
Cosine
0.8381
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-14
0.792
0
932
960
13
Cosine
0.792
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-29
0.712
0
932
964
13
Cosine
0.712
1.049
1
0.8246
0
1338
1357
28
Cosine
0.8246
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-56
0.8699
0
1338
1316
28
Cosine
0.8699
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-57
0.7829
0
1338
1299
28
Cosine
0.7829
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-1
0.8446
0
1338
1337
28
Cosine
0.8446
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-56
0.8695
0
1338
1301
28
Cosine
0.8695
0.052
0
0.874
0
1338
1361
28
Cosine
0.874
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-168
0.9588
0
1255
1470
78
Cosine
0.9588
1.98
1
0.9569
0
1409
1477
106
Cosine
0.9569
14.015
14
0.9142
0
1409
1404
106
Cosine
0.9142
3.995
3
0.9394
0
1409
1436
106
Cosine
0.9394
-14.016
-14
0.833
0
1216
1213
77
Cosine
0.833
88.052
88
0.9246
0
1176
1180
23
Cosine
0.9246
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-100
0.8656
0
1176
1040
23
Cosine
0.8656
44.026
44
0.9464
0
1176
1177
23
Cosine
0.9464
-72.058
-72
0.907
0
1176
1247
23
Cosine
0.907
-28.032
-28
0.9347
0
1176
1253
23
Cosine
0.9347
15.995
15
0.9297
0
1176
1254
23
Cosine
0.9297
60.021
60
0.8836
0
1176
1258
23
Cosine
0.8836
-2.006
-2
0.9651
0
916
923
30
Cosine
0.9651
-170.166
-170
0.9715
0
916
748
30
Cosine
0.9715
7.875
7
0.9767
0
916
1052
30
Cosine
0.9767
-38.952
-38
0.9729
0
916
887
30
Cosine
0.9729
-152.12
-152
0.9711
0
916
683
30
Cosine
0.9711
0.86
0
0.9733
0
1491
1083
30
Cosine
0.9733
-48.0
-48
0.9363
0
710
777
40
Cosine
0.9363
-2.016
-2
0.8909
0
710
617
40
Cosine
0.8909
-0.0
0
0.9293
0
280
474
131
Cosine
0.9293
-48.003
-48
0.8951
0
280
477
131
Cosine
0.8951
-12.0
-12
0.8234
0
642
608
311
Cosine
0.8234
-18.01
-18
0.8604
0
268
269
115
Cosine
0.8604
18.022
18
0.8481
0
268
175
115
Cosine
0.8481
-12.004
-12
0.8627
0
1033
1011
82
Cosine
0.8627
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-14
0.9296
0
1033
1010
82
Cosine
0.9296
-1.008
-1
0.9013
0
1033
1034
82
Cosine
0.9013
-28.031
-28
0.8833
0
1033
986
82
Cosine
0.8833
-13.008
-13
0.8895
0
1033
1009
82
Cosine
0.8895
88.053
88
0.9269
0
1075
1069
23
Cosine
0.9269
-14.016
-14
0.8265
0
1075
1108
23
Cosine
0.8265
-14.015
-14
0.9516
0
1075
1032
23
Cosine
0.9516
30.01
30
0.7313
0
1075
1117
23
Cosine
0.7313
44.026
44
0.9623
0
1075
1073
23
Cosine
0.9623
-58.042
-58
0.7637
0
1075
1107
23
Cosine
0.7637
132.043
132
0.8481
0
758
806
62
Cosine
0.8481
-0.984
0
0.894
0
431
669
38
Cosine
0.894
-14.016
-14
0.9261
0
431
369
38
Cosine
0.9261
14.983
14
0.7255
0
1461
1368
87
Cosine
0.7255
15.995
15
0.7853
0
1461
1380
87
Cosine
0.7853
18.01
18
0.779
0
1461
1407
87
Cosine
0.779
-2.016
-2
0.852
0
1461
1501
87
Cosine
0.852
-44.026
-44
0.8319
0
130
133
248
Cosine
0.8319
17.027
17
0.9304
0
180
156
17
Cosine
0.9304
14.016
14
0.8898
0
180
174
17
Cosine
0.8898
0.036
0
0.9402
0
180
234
17
Cosine
0.9402
-16.99
-16
0.9119
0
180
236
17
Cosine
0.9119
-59.038
-59
0.9081
0
180
342
17
Cosine
0.9081
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-13
0.9446
0
244
138
115
Cosine
0.9446
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-383
0.8419
0
244
609
115
Cosine
0.8419
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-255
0.892
0
244
460
115
Cosine
0.892
-271.085
-271
0.8443
0
244
449
115
Cosine
0.8443
-2.016
-2
0.9726
0
1398
1440
176
Cosine
0.9726
-2.052
-2
0.9571
0
1398
1513
176
Cosine
0.9571
1.837
1
0.9551
0
779
1447
60
Cosine
0.9551
-15.97
-15
0.8257
0
954
952
252
Cosine
0.8257
-223.266
-223
0.772
0
233
1125
220
Cosine
0.772
162.053
162
0.9383
0
784
819
161
Cosine
0.9383
0.08
0
0.9517
0
297
291
10
Cosine
0.9517
18.091
18
0.8262
0
297
293
10
Cosine
0.8262
-43.989
-43
0.8335
0
101
107
145
Cosine
0.8335
0.0
0
0.9587
0
1128
1092
30
Cosine
0.9587
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-148
0.9568
0
1128
1002
30
Cosine
0.9568
-0.387
0
0.9723
0
1128
1395
30
Cosine
0.9723
-18.011
-18
0.9064
0
238
237
10
Cosine
0.9064
30.011
30
0.8934
0
238
197
10
Cosine
0.8934
-14.016
-14
0.9525
0
238
140
10
Cosine
0.9525
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-63
0.8128
0
238
293
10
Cosine
0.8128
15.995
15
0.8637
0
238
124
10
Cosine
0.8637
-28.031
-28
0.7245
0
964
903
13
Cosine
0.7245
-14.017
-14
0.9164
0
964
949
13
Cosine
0.9164
7.966
7
0.7704
0
964
951
13
Cosine
0.7704
-16.031
-16
0.9038
0
964
959
13
Cosine
0.9038
-30.047
-30
0.701
0
964
931
13
Cosine
0.701
-6.049
-6
0.7497
0
964
900
13
Cosine
0.7497
44.026
44
0.9251
0
1177
1180
23
Cosine
0.9251
-72.058
-72
0.9136
0
1177
1253
23
Cosine
0.9136
-28.031
-28
0.9278
0
1177
1254
23
Cosine
0.9278
-100.089
-100
0.8632
0
1177
1044
23
Cosine
0.8632
-56.063
-56
0.8941
0
1177
1040
23
Cosine
0.8941
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-116
0.8875
0
1177
1247
23
Cosine
0.8875
15.995
15
0.9113
0
1177
1258
23
Cosine
0.9113
-14.016
-14
0.9335
0
189
187
7
Cosine
0.9335
-30.011
-30
0.8922
0
189
181
7
Cosine
0.8922
-290.224
-290
0.9082
0
1511
1326
41
Cosine
0.9082
17.026
17
0.96
0
1511
1509
41
Cosine
0.96
-1.004
-1
0.8276
0
917
906
18
Cosine
0.8276
19.014
19
0.804
0
917
919
18
Cosine
0.804
-115.059
-115
0.7976
0
917
922
18
Cosine
0.7976
15.995
15
0.9767
0
261
348
30
Cosine
0.9767
43.99
43
0.9704
0
261
456
30
Cosine
0.9704
168.12
168
0.9589
0
261
748
30
Cosine
0.9589
-0.984
0
0.9099
0
369
473
38
Cosine
0.9099
-132.042
-132
0.8571
0
843
830
62
Cosine
0.8571
146.057
146
0.853
0
843
858
62
Cosine
0.853
46.005
46
0.8369
0
843
824
62
Cosine
0.8369
17.028
17
0.8918
0
843
831
62
Cosine
0.8918
30.01
30
0.8855
0
843
835
62
Cosine
0.8855
-17.027
-17
0.921
0
1326
1327
41
Cosine
0.921
15.995
15
0.9346
0
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824
62
Cosine
0.9346
-324.105
-324
0.9486
0
12
11
65
Cosine
0.9486
1621.529
1621
0.8785
0
12
5
65
Cosine
0.8785
-486.156
-486
0.9376
0
12
10
65
Cosine
0.9376
-14.016
-14
0.8869
0
1221
1261
75
Cosine
0.8869
-58.063
-58
0.7627
0
1221
1091
75
Cosine
0.7627
-116.062
-116
0.9178
0
922
906
18
Cosine
0.9178
-139.194
-139
0.7284
0
922
1276
18
Cosine
0.7284
-134.073
-134
0.9308
0
922
919
18
Cosine
0.9308
-167.225
-167
0.7394
0
922
1310
18
Cosine
0.7394
-71.005
-71
0.7107
0
922
913
18
Cosine
0.7107
-17.027
-17
0.877
0
922
1109
18
Cosine
0.877
-2.016
-2
0.9741
0
1529
1507
51
Cosine
0.9741
-2.016
-2
0.985
0
1529
1543
51
Cosine
0.985
84.096
84
0.7604
0
1223
1218
19
Cosine
0.7604
-32.026
-32
0.8344
0
1223
1224
19
Cosine
0.8344
43.99
43
0.7834
0
1223
1229
19
Cosine
0.7834
-160.111
-160
0.7932
0
1223
1238
19
Cosine
0.7932
-1.216
-1
0.9626
0
1515
1023
30
Cosine
0.9626
0.0
0
0.938
0
577
650
74
Cosine
0.938
-111.947
-111
0.856
0
24
25
75
Cosine
0.856
-18.011
-18
0.8031
0
24
23
75
Cosine
0.8031
-41.027
-41
0.8761
0
24
22
75
Cosine
0.8761
230.768
230
0.9587
0
1045
57
30
Cosine
0.9587
-28.031
-28
0.9781
0
1045
1003
30
Cosine
0.9781
-224.214
-224
0.9704
0
1045
1525
30
Cosine
0.9704
0.036
0
0.9818
0
1045
1262
30
Cosine
0.9818
-27.995
-27
0.965
0
1045
1290
30
Cosine
0.965
0.0
0
0.958
0
602
702
170
Cosine
0.958
162.053
162
0.9414
0
173
281
97
Cosine
0.9414
0.0
0
0.9774
0
173
271
97
Cosine
0.9774
-15.995
-15
0.9301
0
173
172
97
Cosine
0.9301
15.958
15
0.8927
0
733
521
88
Cosine
0.8927
-75.998
-75
0.762
0
1096
839
119
Cosine
0.762
-75.998
-75
0.7356
0
1096
1081
119
Cosine
0.7356
-1.979
-1
0.8025
0
1096
1095
119
Cosine
0.8025
-16.031
-16
0.8321
0
1096
1098
119
Cosine
0.8321
161.552
161
0.8668
0
18
15
137
Cosine
0.8668
-303.118
-303
0.9713
0
1049
868
30
Cosine
0.9713
219.06
219
0.9578
0
1049
1246
30
Cosine
0.9578
680.476
680
0.7543
0
1343
1335
111
Cosine
0.7543
43.042
43
0.9511
0
1343
1340
111
Cosine
0.9511
59.074
59
0.7843
0
1343
1341
111
Cosine
0.7843
-17.027
-17
0.9345
0
1343
1346
111
Cosine
0.9345
-45.058
-45
0.8545
0
1343
1347
111
Cosine
0.8545
-679.473
-679
0.9103
0
1343
1352
111
Cosine
0.9103
-0.078
0
0.8756
0
1343
1397
111
Cosine
0.8756
-128.082
-128
0.9338
0
943
1065
148
Cosine
0.9338
-4.031
-4
0.8669
0
1542
1502
54
Cosine
0.8669
-2.016
-2
0.9053
0
1542
1527
54
Cosine
0.9053
-28.031
-28
0.9457
0
1542
1530
54
Cosine
0.9457
-160.208
-160
0.9662
0
1137
441
30
Cosine
0.9662
-29.146
-29
0.9694
0
1137
787
30
Cosine
0.9694
60.021
60
0.976
0
1137
1057
30
Cosine
0.976
-45.058
-45
0.7842
0
913
906
18
Cosine
0.7842
-28.031
-28
0.8683
0
913
908
18
Cosine
0.8683
63.068
63
0.7642
0
913
919
18
Cosine
0.7642
-2.016
-2
0.8922
0
913
895
18
Cosine
0.8922
386.173
386
0.8465
0
913
905
18
Cosine
0.8465
-81.079
-81
0.7747
0
252
253
147
Cosine
0.7747
12.0
12
0.9012
0
1373
1376
9
Cosine
0.9012
-2.016
-2
0.9072
0
1373
1400
9
Cosine
0.9072
-28.031
-28
0.8428
0
1373
1406
9
Cosine
0.8428
-57.022
-57
0.8684
0
377
450
96
Cosine
0.8684
-28.031
-28
0.9119
0
377
648
96
Cosine
0.9119
-125.048
-125
0.8708
0
377
682
96
Cosine
0.8708
20.016
20
0.9261
0
1260
1267
15
Cosine
0.9261
13.99
13
0.9367
0
1260
1135
15
Cosine
0.9367
13.989
13
0.9324
0
1260
1144
15
Cosine
0.9324
-2.005
-2
0.9343
0
1260
1148
15
Cosine
0.9343
13.99
13
0.9346
0
1260
1166
15
Cosine
0.9346
-16.022
-16
0.9183
0
1260
1175
15
Cosine
0.9183
-176.094
-176
0.9216
0
1260
1184
15
Cosine
0.9216
-2.006
-2
0.9544
0
1260
1250
15
Cosine
0.9544
-15.995
-15
0.9516
0
822
877
34
Cosine
0.9516
31.99
31
0.8763
0
822
804
34
Cosine
0.8763
30.011
30
0.9253
0
822
810
34
Cosine
0.9253
19.945
19
0.9382
0
822
796
34
Cosine
0.9382
-46.006
-46
0.8912
0
822
851
34
Cosine
0.8912
30.011
30
0.9297
0
822
802
34
Cosine
0.9297
15.995
15
0.9176
0
822
786
34
Cosine
0.9176
-2.016
-2
0.973
0
1477
1436
106
Cosine
0.973
-0.001
0
0.958
0
1477
1448
106
Cosine
0.958
15.996
15
0.94
0
695
699
209
Cosine
0.94
-95.073
-95
0.9392
0
695
700
209
Cosine
0.9392
-7.008
-7
0.7114
0
889
927
43
Cosine
0.7114
12.985
12
0.7277
0
1169
1252
19
Cosine
0.7277
-15.994
-15
0.7852
0
1169
1147
19
Cosine
0.7852
13.988
13
0.7432
0
1169
1251
19
Cosine
0.7432
1.979
1
0.8296
0
1169
1265
19
Cosine
0.8296
116.046
116
0.9199
0
847
842
48
Cosine
0.9199
146.057
146
0.9429
0
847
837
48
Cosine
0.9429
30.011
30
0.9362
0
847
859
48
Cosine
0.9362
-162.052
-162
0.8696
0
830
835
62
Cosine
0.8696
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-15
0.8786
0
830
846
62
Cosine
0.8786
14.015
14
0.8629
0
830
858
62
Cosine
0.8629
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-10
0.7199
0
393
391
14
Cosine
0.7199
-28.958
-28
0.963
0
748
263
30
Cosine
0.963
124.131
124
0.9639
0
748
456
30
Cosine
0.9639
18.047
18
0.9779
0
748
683
30
Cosine
0.9779
52.774
52
0.9691
0
748
868
30
Cosine
0.9691
-131.215
-131
0.9745
0
748
887
30
Cosine
0.9745
-50.179
-50
0.9633
0
748
1077
30
Cosine
0.9633
44.027
44
0.9185
0
1069
1073
23
Cosine
0.9185
-13.906
-13
0.838
0
1506
1446
63
Cosine
0.838
-14.125
-14
0.8982
0
1506
1518
63
Cosine
0.8982
-41.938
-41
0.8186
0
1506
1441
63
Cosine
0.8186
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-41
0.8378
0
1506
1403
63
Cosine
0.8378
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-13
0.8386
0
1506
1486
63
Cosine
0.8386
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-27
0.8419
0
1506
1454
63
Cosine
0.8419
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-27
0.8152
0
1506
1428
63
Cosine
0.8152
0.109
0
0.9761
0
1506
1503
63
Cosine
0.9761
-325.089
-325
0.8212
0
62
94
69
Cosine
0.8212
-48.003
-48
0.9214
0
474
477
131
Cosine
0.9214
63.998
63
0.9018
0
474
276
131
Cosine
0.9018
-2.016
-2
0.9589
0
1226
1227
155
Cosine
0.9589
15.995
15
0.9148
0
1226
1293
155
Cosine
0.9148
-43.99
-43
0.8625
0
478
467
369
Cosine
0.8625
-28.031
-28
0.9224
0
1258
1180
23
Cosine
0.9224
88.053
88
0.8885
0
1258
1272
23
Cosine
0.8885
88.053
88
0.9103
0
1258
1253
23
Cosine
0.9103
44.026
44
0.9169
0
1258
1254
23
Cosine
0.9169
-84.094
-84
0.8913
0
1258
1044
23
Cosine
0.8913
-40.068
-40
0.8657
0
1258
1040
23
Cosine
0.8657
132.079
132
0.9029
0
1258
1247
23
Cosine
0.9029
30.011
30
0.9002
0
851
877
34
Cosine
0.9002
-15.995
-15
0.931
0
851
810
34
Cosine
0.931
-30.011
-30
0.8808
0
851
786
34
Cosine
0.8808
-15.995
-15
0.926
0
851
802
34
Cosine
0.926
242.126
242
0.918
0
510
520
123
Cosine
0.918
115.958
115
0.7485
0
510
1196
123
Cosine
0.7485
-14.016
-14
0.911
0
1270
1285
134
Cosine
0.911
-42.046
-42
0.8923
0
1270
1304
134
Cosine
0.8923
-2.014
-2
0.8577
0
1318
1214
19
Cosine
0.8577
43.99
43
0.7889
0
1318
1313
19
Cosine
0.7889
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-113
0.7637
0
1318
1231
19
Cosine
0.7637
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-46
0.859
0
1318
1284
19
Cosine
0.859
0.0
0
0.7869
0
1318
1222
19
Cosine
0.7869
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-81
0.8131
0
1318
1230
19
Cosine
0.8131
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-28
0.8986
0
1318
1206
19
Cosine
0.8986
14.017
14
0.9181
0
1318
1275
19
Cosine
0.9181
176.032
176
0.86
0
1363
1416
9
Cosine
0.86
25.979
25
0.7602
0
1363
1392
9
Cosine
0.7602
-33.984
-33
0.9124
0
324
335
179
Cosine
0.9124
1.149
1
0.9606
0
1070
1007
30
Cosine
0.9606
-2.248
-2
0.961
0
1070
1084
30
Cosine
0.961
-97.053
-97
0.8506
0
435
352
121
Cosine
0.8506
-12.036
-12
0.8457
0
452
610
61
Cosine
0.8457
-9.984
-9
0.858
0
452
633
61
Cosine
0.858
-24.995
-24
0.928
0
1095
1099
119
Cosine
0.928
-74.019
-74
0.7712
0
1095
839
119
Cosine
0.7712
-18.011
-18
0.7509
0
1095
1098
119
Cosine
0.7509
-74.019
-74
0.7415
0
1095
1081
119
Cosine
0.7415
-2.001
-2
0.864
0
1358
1354
110
Cosine
0.864
-58.064
-58
0.8711
0
1358
1307
110
Cosine
0.8711
-0.998
0
0.9072
0
1358
1350
110
Cosine
0.9072
0.995
0
0.8436
0
103
81
200
Cosine
0.8436
-14.016
-14
0.9169
0
151
120
50
Cosine
0.9169
-39.995
-39
0.9024
0
151
313
50
Cosine
0.9024
6.01
6
0.8815
0
794
384
59
Cosine
0.8815
0.046
0
0.9044
0
1315
1299
28
Cosine
0.9044
1.049
1
0.8967
0
1315
1301
28
Cosine
0.8967
-1.003
-1
0.8472
0
1315
1312
28
Cosine
0.8472
-0.997
0
0.8948
0
1315
1316
28
Cosine
0.8948
-131.094
-131
0.7143
0
200
201
142
Cosine
0.7143
0.0
0
0.9641
0
200
274
142
Cosine
0.9641
-31.972
-31
0.8936
0
107
52
145
Cosine
0.8936
195.056
195
0.8864
0
107
100
145
Cosine
0.8864
-0.001
0
0.9793
0
1396
1420
53
Cosine
0.9793
3.946
3
0.9675
0
1396
1442
53
Cosine
0.9675
-568.509
-568
0.9558
0
1396
1422
53
Cosine
0.9558
-0.037
0
0.9657
0
1396
1492
53
Cosine
0.9657
-1.041
-1
0.9595
0
1396
1495
53
Cosine
0.9595
-52.068
-52
0.8502
0
838
1063
83
Cosine
0.8502
-15.956
-15
0.7164
0
1220
1251
19
Cosine
0.7164
2.01
2
0.799
0
1220
1222
19
Cosine
0.799
-56.063
-56
0.9009
0
514
245
7
Cosine
0.9009
-42.047
-42
0.9269
0
514
181
7
Cosine
0.9269
-85.053
-85
0.9355
0
514
468
7
Cosine
0.9355
0.0
0
0.9566
0
514
475
7
Cosine
0.9566
-14.016
-14
0.9374
0
514
505
7
Cosine
0.9374
-33.984
-33
0.9302
0
537
440
40
Cosine
0.9302
0.054
0
0.8061
0
210
207
85
Cosine
0.8061
-0.054
0
0.828
0
210
247
85
Cosine
0.828
-14.07
-14
0.8504
0
210
362
85
Cosine
0.8504
18.01
18
0.9583
0
1250
1267
15
Cosine
0.9583
-174.088
-174
0.9539
0
1250
1184
15
Cosine
0.9539
15.996
15
0.9696
0
1250
1135
15
Cosine
0.9696
15.995
15
0.9562
0
1250
1144
15
Cosine
0.9562
0.001
0
0.9613
0
1250
1148
15
Cosine
0.9613
15.996
15
0.97
0
1250
1166
15
Cosine
0.97
-14.016
-14
0.9398
0
1250
1175
15
Cosine
0.9398
131.094
131
0.7848
0
201
274
142
Cosine
0.7848
-2.015
-2
0.7963
0
1407
1380
87
Cosine
0.7963
15.994
15
0.8166
0
1407
1501
87
Cosine
0.8166
-3.027
-3
0.7285
0
1407
1368
87
Cosine
0.7285
-14.016
-14
0.9291
0
528
639
257
Cosine
0.9291
-14.016
-14
0.9139
0
197
124
10
Cosine
0.9139
-44.026
-44
0.8438
0
197
140
10
Cosine
0.8438
18.011
18
0.9132
0
197
242
10
Cosine
0.9132
-33.984
-33
0.8701
0
197
293
10
Cosine
0.8701
-84.057
-84
0.9687
0
1246
868
30
Cosine
0.9687
-16.979
-16
0.7036
0
726
704
174
Cosine
0.7036
0.983
0
0.7586
0
726
760
174
Cosine
0.7586
-28.032
-28
0.8666
0
726
848
174
Cosine
0.8666
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-255
0.7731
0
1276
906
18
Cosine
0.7731
-238.23
-238
0.8464
0
1276
908
18
Cosine
0.8464
-273.267
-273
0.7388
0
1276
919
18
Cosine
0.7388
-122.168
-122
0.8705
0
1276
1109
18
Cosine
0.8705
-28.031
-28
0.9507
0
1276
1310
18
Cosine
0.9507
14.016
14
0.9118
0
802
877
34
Cosine
0.9118
0.0
0
0.9739
0
802
810
34
Cosine
0.9739
-44.026
-44
0.9034
0
802
780
34
Cosine
0.9034
-14.016
-14
0.8847
0
802
786
34
Cosine
0.8847
-27.995
-27
0.968
0
1262
1003
30
Cosine
0.968
-224.25
-224
0.9763
0
1262
1525
30
Cosine
0.9763
-98.073
-98
0.9592
0
1262
868
30
Cosine
0.9592
-28.031
-28
0.9732
0
1262
1290
30
Cosine
0.9732
-1.099
-1
0.9741
0
1007
1084
30
Cosine
0.9741
15.958
15
0.8641
0
392
93
61
Cosine
0.8641
-14.016
-14
0.9372
0
392
266
61
Cosine
0.9372
-14.016
-14
0.8735
0
607
750
2
Cosine
0.8735
-40.068
-40
0.8361
0
1286
1048
23
Cosine
0.8361
-84.094
-84
0.9314
0
1286
1056
23
Cosine
0.9314
60.021
60
0.844
0
1286
1188
23
Cosine
0.844
15.995
15
0.8939
0
1286
1190
23
Cosine
0.8939
88.052
88
0.8619
0
1286
1274
23
Cosine
0.8619
44.026
44
0.9411
0
1286
1280
23
Cosine
0.9411
44.026
44
0.8668
0
1286
1289
23
Cosine
0.8668
-72.021
-72
0.8286
0
250
254
152
Cosine
0.8286
24.011
24
0.8857
0
440
212
40
Cosine
0.8857
15.995
15
0.9274
0
440
617
40
Cosine
0.9274
-1.003
-1
0.8951
0
440
445
40
Cosine
0.8951
-14.016
-14
0.8461
0
1494
1471
9
Cosine
0.8461
42.01
42
0.7986
0
1494
1466
9
Cosine
0.7986
-14.016
-14
0.8415
0
1494
1512
9
Cosine
0.8415
39.995
39
0.7517
0
1494
1435
9
Cosine
0.7517
43.014
43
0.7576
0
1494
1478
9
Cosine
0.7576
176.032
176
0.8092
0
1494
1392
9
Cosine
0.8092
-27.995
-27
0.887
0
77
71
94
Cosine
0.887
14.016
14
0.8566
0
77
79
94
Cosine
0.8566
162.052
162
0.9332
0
77
72
94
Cosine
0.9332
-28.031
-28
0.9692
0
1330
1355
39
Cosine
0.9692
-232.183
-232
0.8297
0
1330
1015
39
Cosine
0.8297
24.0
24
0.9584
0
1330
1306
39
Cosine
0.9584
26.015
26
0.9625
0
1330
1325
39
Cosine
0.9625
-2.016
-2
0.9749
0
1330
1366
39
Cosine
0.9749
-29.035
-29
0.9315
0
1330
1356
39
Cosine
0.9315
-30.047
-30
0.9463
0
1330
1390
39
Cosine
0.9463
-147.069
-147
0.8788
0
437
78
61
Cosine
0.8788
-33.985
-33
0.959
0
437
405
61
Cosine
0.959
15.995
15
0.9023
0
1371
1510
208
Cosine
0.9023
88.052
88
0.9168
0
1014
1018
90
Cosine
0.9168
132.079
132
0.8459
0
1014
1020
90
Cosine
0.8459
44.026
44
0.9156
0
1014
1016
90
Cosine
0.9156
-30.011
-30
0.8584
0
242
237
10
Cosine
0.8584
-14.016
-14
0.8916
0
242
119
10
Cosine
0.8916
-33.984
-33
0.8151
0
242
291
10
Cosine
0.8151
-73.018
-73
0.8312
0
1181
1153
42
Cosine
0.8312
-239.083
-239
0.722
0
1181
1064
42
Cosine
0.722
-74.019
-74
0.8646
0
1181
1160
42
Cosine
0.8646
-222.056
-222
0.7434
0
1181
1062
42
Cosine
0.7434
-148.037
-148
0.8333
0
1181
1129
42
Cosine
0.8333
0.0
0
0.9143
0
1181
1151
42
Cosine
0.9143
-2.016
-2
0.9748
0
1463
1417
44
Cosine
0.9748
-4.031
-4
0.9577
0
1463
1384
44
Cosine
0.9577
-0.001
0
0.9723
0
1463
1433
44
Cosine
0.9723
-0.036
0
0.9733
0
1463
1523
44
Cosine
0.9733
-0.094
0
0.9646
0
992
1050
146
Cosine
0.9646
2.985
2
0.9554
0
992
999
146
Cosine
0.9554
-17.027
-17
0.9439
0
1171
1170
130
Cosine
0.9439
-3.078
-3
0.9618
0
1050
999
146
Cosine
0.9618
104.047
104
0.9564
0
1050
1115
146
Cosine
0.9564
0.984
0
0.8971
0
599
341
245
Cosine
0.8971
-86.036
-86
0.8128
0
580
433
267
Cosine
0.8128
-185.105
-185
0.7394
0
580
327
267
Cosine
0.7394
-196.121
-196
0.7268
0
580
674
267
Cosine
0.7268
-14.016
-14
0.9655
0
641
529
207
Cosine
0.9655
-1.979
-1
0.8767
0
1194
1213
77
Cosine
0.8767
19.968
19
0.8199
0
1202
1193
271
Cosine
0.8199
-1.004
-1
0.9643
0
1356
1355
39
Cosine
0.9643
-261.218
-261
0.8122
0
1356
1015
39
Cosine
0.8122
-5.035
-5
0.9566
0
1356
1306
39
Cosine
0.9566
-3.019
-3
0.9644
0
1356
1325
39
Cosine
0.9644
27.019
27
0.9436
0
1356
1366
39
Cosine
0.9436
-1.012
-1
0.9557
0
1356
1390
39
Cosine
0.9557
-14.016
-14
0.8982
0
1183
1101
45
Cosine
0.8982
-12.036
-12
0.8885
0
1180
1040
23
Cosine
0.8885
-56.063
-56
0.9191
0
1180
1044
23
Cosine
0.9191
-116.084
-116
0.8718
0
1180
1253
23
Cosine
0.8718
-72.057
-72
0.8918
0
1180
1254
23
Cosine
0.8918
60.021
60
0.895
0
1180
1272
23
Cosine
0.895
-28.031
-28
0.7735
0
1196
1273
123
Cosine
0.7735
-56.063
-56
0.9135
0
1196
1309
123
Cosine
0.9135
-14.041
-14
0.9309
0
39
45
217
Cosine
0.9309
26.016
26
0.9316
0
1346
1340
111
Cosine
0.9316
-28.031
-28
0.8505
0
1346
1347
111
Cosine
0.8505
16.949
16
0.8559
0
1346
1397
111
Cosine
0.8559
-2.007
-2
0.8588
0
1346
1362
111
Cosine
0.8588
42.047
42
0.7463
0
1346
1341
111
Cosine
0.7463
663.449
663
0.8198
0
1346
1335
111
Cosine
0.8198
-662.446
-662
0.9364
0
1346
1352
111
Cosine
0.9364
120.042
120
0.7898
0
498
598
195
Cosine
0.7898
120.042
120
0.8091
0
498
530
195
Cosine
0.8091
-13.013
-13
0.7547
0
1251
1159
19
Cosine
0.7547
-1.003
-1
0.9064
0
1251
1252
19
Cosine
0.9064
-13.014
-13
0.7955
0
1251
1174
19
Cosine
0.7955
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-42
0.7377
0
1251
1207
19
Cosine
0.7377
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-12
0.8053
0
1251
1265
19
Cosine
0.8053
-0.984
0
0.9636
0
1008
993
368
Cosine
0.9636
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-127
0.8625
0
654
755
11
Cosine
0.8625
33.984
33
0.9216
0
654
582
11
Cosine
0.9216
626.549
626
0.9496
0
1402
1404
106
Cosine
0.9496
1.943
1
0.9725
0
1072
938
22
Cosine
0.9725
-10.149
-10
0.9603
0
1077
785
30
Cosine
0.9603
-76.091
-76
0.9595
0
1077
1198
30
Cosine
0.9595
-56.063
-56
0.9506
0
1307
1354
110
Cosine
0.9506
-57.066
-57
0.827
0
1307
1350
110
Cosine
0.827
-17.026
-17
0.7702
0
908
906
18
Cosine
0.7702
26.016
26
0.9264
0
908
895
18
Cosine
0.9264
414.205
414
0.8829
0
908
905
18
Cosine
0.8829
-116.063
-116
0.8382
0
908
1109
18
Cosine
0.8382
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-266
0.8317
0
908
1310
18
Cosine
0.8317
65.953
65
0.9633
0
818
785
30
Cosine
0.9633
65.953
65
0.9573
0
818
775
30
Cosine
0.9573
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-169
0.9649
0
818
1002
30
Cosine
0.9649
55.021
55
0.9638
0
818
787
30
Cosine
0.9638
43.969
43
0.9763
0
818
683
30
Cosine
0.9763
-16.027
-16
0.8925
0
986
1011
82
Cosine
0.8925
-14.016
-14
0.8826
0
986
1010
82
Cosine
0.8826
-15.024
-15
0.8696
0
986
1009
82
Cosine
0.8696
-15.995
-15
0.9212
0
281
171
97
Cosine
0.9212
162.053
162
0.9352
0
281
271
97
Cosine
0.9352
18.011
18
0.9419
0
1148
1267
15
Cosine
0.9419
174.089
174
0.9388
0
1148
1184
15
Cosine
0.9388
15.994
15
0.9413
0
1148
1144
15
Cosine
0.9413
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-15
0.9505
0
1148
1166
15
Cosine
0.9505
14.017
14
0.9248
0
1148
1175
15
Cosine
0.9248
15.995
15
0.9498
0
1148
1135
15
Cosine
0.9498
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-568
0.9606
0
1422
1420
53
Cosine
0.9606
568.472
568
0.9569
0
1422
1492
53
Cosine
0.9569
58.965
58
0.8538
0
556
451
114
Cosine
0.8538
27.994
27
0.9641
0
1469
1482
47
Cosine
0.9641
-13.012
-13
0.8389
0
1379
1460
9
Cosine
0.8389
-244.088
-244
0.9657
0
277
279
240
Cosine
0.9657
-42.047
-42
0.9166
0
461
555
129
Cosine
0.9166
15.995
15
0.869
0
980
935
45
Cosine
0.869
39.995
39
0.7511
0
980
1017
45
Cosine
0.7511
15.995
15
0.8538
0
980
1046
45
Cosine
0.8538
-4.228
-4
0.9651
0
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1083
30
Cosine
0.9651
-42.047
-42
0.9129
0
89
159
76
Cosine
0.9129
-106.009
-106
0.9339
0
89
110
76
Cosine
0.9339
89.048
89
0.9191
0
89
114
76
Cosine
0.9191
-68.026
-68
0.8788
0
682
450
96
Cosine
0.8788
-28.031
-28
0.8207
0
1125
1078
220
Cosine
0.8207
-0.0
0
0.9354
0
294
209
373
Cosine
0.9354
-70.017
-70
0.91
0
74
126
7
Cosine
0.91
-42.011
-42
0.94
0
74
83
7
Cosine
0.94
176.105
176
0.8486
0
1036
1032
23
Cosine
0.8486
-28.031
-28
0.9196
0
1036
1119
23
Cosine
0.9196
0.0
0
0.9472
0
207
247
85
Cosine
0.9472
-14.016
-14
0.9066
0
207
362
85
Cosine
0.9066
-1.003
-1
0.9327
0
665
664
115
Cosine
0.9327
-3.01
-3
0.8593
0
883
884
13
Cosine
0.8593
-79.957
-79
0.9473
0
883
903
13
Cosine
0.9473
1.011
1
0.8649
0
883
891
13
Cosine
0.8649
-455.158
-455
0.8345
0
1514
984
116
Cosine
0.8345
-455.158
-455
0.8253
0
1514
996
116
Cosine
0.8253
-6.01
-6
0.8788
0
1514
1526
116
Cosine
0.8788
-20.026
-20
0.8782
0
1514
1532
116
Cosine
0.8782
-48.058
-48
0.8593
0
1514
1545
116
Cosine
0.8593
18.01
18
0.9229
0
1227
1293
155
Cosine
0.9229
-23.016
-23
0.8377
0
350
230
5
Cosine
0.8377
-33.961
-33
0.8486
0
350
553
5
Cosine
0.8486
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-12
0.7862
0
1145
1248
19
Cosine
0.7862
-12.036
-12
0.7975
0
1145
1313
19
Cosine
0.7975
34.005
34
0.8343
0
1145
1277
19
Cosine
0.8343
15.994
15
0.8901
0
1145
1249
19
Cosine
0.8901
30.01
30
0.7919
0
1145
1162
19
Cosine
0.7919
0.001
0
0.928
0
1145
1131
19
Cosine
0.928
-144.077
-144
0.838
0
1145
1071
19
Cosine
0.838
-14.016
-14
0.7442
0
1413
1392
9
Cosine
0.7442
-42.047
-42
0.9346
0
212
70
40
Cosine
0.9346
-16.031
-16
0.9311
0
212
150
40
Cosine
0.9311
-33.984
-33
0.9591
0
212
366
40
Cosine
0.9591
161.069
161
0.7341
0
148
211
108
Cosine
0.7341
-43.99
-43
0.7441
0
1207
1252
19
Cosine
0.7441
29.973
29
0.7315
0
1207
1174
19
Cosine
0.7315
-11.006
-11
0.7462
0
1207
1279
19
Cosine
0.7462
15.023
15
0.8649
0
4
2
182
Cosine
0.8649
-148.049
-148
0.762
0
4
801
182
Cosine
0.762
-28.031
-28
0.9627
0
983
1028
198
Cosine
0.9627
0.054
0
0.8974
0
334
326
232
Cosine
0.8974
24.0
24
0.8877
0
1530
1502
54
Cosine
0.8877
26.016
26
0.9161
0
1530
1527
54
Cosine
0.9161
-28.032
-28
0.9402
0
1441
1446
63
Cosine
0.9402
-56.063
-56
0.9149
0
1441
1518
63
Cosine
0.9149
162.053
162
0.808
0
1441
1382
63
Cosine
0.808
-0.0
0
0.9669
0
1441
1403
63
Cosine
0.9669
14.016
14
0.9365
0
1441
1428
63
Cosine
0.9365
15.995
15
0.9207
0
1441
1453
63
Cosine
0.9207
-14.016
-14
0.9572
0
1441
1454
63
Cosine
0.9572
-2.016
-2
0.9359
0
1441
1459
63
Cosine
0.9359
-28.031
-28
0.9432
0
1441
1486
63
Cosine
0.9432
56.025
56
0.7599
0
1467
1473
106
Cosine
0.7599
-610.554
-610
0.9443
0
1467
1448
106
Cosine
0.9443
1.962
1
0.8433
0
664
536
115
Cosine
0.8433
-81.988
-81
0.8504
0
664
813
115
Cosine
0.8504
43.99
43
0.9364
0
336
290
7
Cosine
0.9364
-76.031
-76
0.9135
0
336
651
7
Cosine
0.9135
-33.984
-33
0.9265
0
336
181
7
Cosine
0.9265
-71.037
-71
0.9105
0
336
202
7
Cosine
0.9105
58.005
58
0.9158
0
336
319
7
Cosine
0.9158
-28.031
-28
0.9098
0
336
412
7
Cosine
0.9098
43.006
43
0.9134
0
336
565
7
Cosine
0.9134
-17.027
-17
0.9093
0
1369
1370
41
Cosine
0.9093
-24.0
-24
0.8304
0
1046
1017
45
Cosine
0.8304
31.991
31
0.8065
0
1046
935
45
Cosine
0.8065
-14.016
-14
0.8575
0
1498
1466
9
Cosine
0.8575
42.011
42
0.8447
0
1498
1512
9
Cosine
0.8447
1.979
1
0.8323
0
1498
1410
9
Cosine
0.8323
-30.047
-30
0.8403
0
1498
1416
9
Cosine
0.8403
-16.031
-16
0.9275
0
1498
1435
9
Cosine
0.9275
-42.047
-42
0.9252
0
1498
1438
9
Cosine
0.9252
-2.015
-2
0.8067
0
1498
1450
9
Cosine
0.8067
-13.012
-13
0.7422
0
1498
1478
9
Cosine
0.7422
146.057
146
0.9331
0
859
842
48
Cosine
0.9331
176.068
176
0.9222
0
859
837
48
Cosine
0.9222
1945.634
1945
0.8816
0
11
5
65
Cosine
0.8816
-162.05
-162
0.954
0
11
10
65
Cosine
0.954
10.932
10
0.9564
0
787
775
30
Cosine
0.9564
-11.052
-11
0.9681
0
787
683
30
Cosine
0.9681
81.873
81
0.9577
0
787
868
30
Cosine
0.9577
-0.0
0
0.895
0
318
246
326
Cosine
0.895
0.001
0
0.932
0
1116
1103
19
Cosine
0.932
-14.018
-14
0.8131
0
1116
1162
19
Cosine
0.8131
15.995
15
0.9478
0
789
819
161
Cosine
0.9478
-14.016
-14
0.9551
0
1455
1470
78
Cosine
0.9551
-26.016
-26
0.8813
0
1157
1149
75
Cosine
0.8813
19.005
19
0.7629
0
1157
1124
75
Cosine
0.7629
-29.015
-29
0.7675
0
848
760
174
Cosine
0.7675
27.995
27
0.9691
0
348
456
30
Cosine
0.9691
-224.25
-224
0.8796
0
1426
1136
57
Cosine
0.8796
-111.122
-111
0.8813
0
1426
1296
57
Cosine
0.8813
-112.125
-112
0.8762
0
1426
1300
57
Cosine
0.8762
-14.016
-14
0.9555
0
159
127
76
Cosine
0.9555
63.962
63
0.9385
0
159
110
76
Cosine
0.9385
-131.094
-131
0.9277
0
159
114
76
Cosine
0.9277
17.955
17
0.9331
0
159
123
76
Cosine
0.9331
49.979
49
0.9243
0
159
153
76
Cosine
0.9243
24.0
24
0.8893
0
1381
1418
371
Cosine
0.8893
-16.031
-16
0.9009
0
497
329
88
Cosine
0.9009
-27.995
-27
0.8707
0
497
521
88
Cosine
0.8707
-28.03
-28
0.8413
0
1313
1147
19
Cosine
0.8413
-0.0
0
0.8634
0
1313
1248
19
Cosine
0.8634
-156.113
-156
0.8438
0
1313
1071
19
Cosine
0.8438
-12.035
-12
0.8083
0
1313
1131
19
Cosine
0.8083
-2.015
-2
0.8168
0
1313
1237
19
Cosine
0.8168
-28.031
-28
0.8943
0
1313
1249
19
Cosine
0.8943
-46.041
-46
0.9084
0
1313
1277
19
Cosine
0.9084
176.105
176
0.8726
0
1253
1272
23
Cosine
0.8726
88.052
88
0.9001
0
1253
1245
23
Cosine
0.9001
-128.12
-128
0.8659
0
1253
1040
23
Cosine
0.8659
132.078
132
0.8746
0
1253
1244
23
Cosine
0.8746
44.026
44
0.9327
0
1253
1247
23
Cosine
0.9327
44.027
44
0.9341
0
1253
1254
23
Cosine
0.9341
21.982
21
0.7861
0
900
903
13
Cosine
0.7861
7.968
7
0.7798
0
900
949
13
Cosine
0.7798
-14.015
-14
0.9459
0
900
951
13
Cosine
0.9459
9.982
9
0.7458
0
900
959
13
Cosine
0.7458
23.997
23
0.7366
0
900
931
13
Cosine
0.7366
431.231
431
0.7484
0
905
906
18
Cosine
0.7484
-388.189
-388
0.8842
0
905
895
18
Cosine
0.8842
-18.958
-18
0.8467
0
78
93
61
Cosine
0.8467
-113.084
-113
0.8846
0
78
405
61
Cosine
0.8846
0.011
0
0.8995
0
175
269
115
Cosine
0.8995
45.058
45
0.9052
0
276
275
131
Cosine
0.9052
15.995
15
0.973
0
276
477
131
Cosine
0.973
0.0
0
0.9412
0
276
199
131
Cosine
0.9412
-0.196
0
0.9651
0
1256
1472
352
Cosine
0.9651
-14.015
-14
0.7808
0
948
907
3
Cosine
0.7808
-14.017
-14
0.7403
0
948
963
3
Cosine
0.7403
1.013
1
0.9079
0
962
987
113
Cosine
0.9079
2.016
2
0.941
0
962
982
113
Cosine
0.941
15.995
15
0.921
0
962
869
113
Cosine
0.921
-14.016
-14
0.8286
0
1503
1446
63
Cosine
0.8286
-14.016
-14
0.8823
0
1503
1518
63
Cosine
0.8823
-42.047
-42
0.8347
0
1503
1403
63
Cosine
0.8347
-14.016
-14
0.8331
0
1503
1486
63
Cosine
0.8331
-28.031
-28
0.8283
0
1503
1454
63
Cosine
0.8283
-28.031
-28
0.8135
0
1503
1428
63
Cosine
0.8135
88.052
88
0.8515
0
1289
1280
23
Cosine
0.8515
-84.094
-84
0.8975
0
1040
1254
23
Cosine
0.8975
44.026
44
0.9237
0
1040
1044
23
Cosine
0.9237
-132.079
-132
0.8751
0
1040
1038
23
Cosine
0.8751
-0.036
0
0.9672
0
1513
1440
176
Cosine
0.9672
-0.0
0
0.9527
0
204
383
249
Cosine
0.9527
-113.066
-113
0.8241
0
1081
1100
119
Cosine
0.8241
0.0
0
0.9643
0
1081
839
119
Cosine
0.9643
-48.0
-48
0.9125
0
293
124
10
Cosine
0.9125
-18.011
-18
0.8839
0
293
291
10
Cosine
0.8839
-28.031
-28
0.834
0
1429
1387
144
Cosine
0.834
-2.015
-2
0.7092
0
696
708
174
Cosine
0.7092
17.008
17
0.7722
0
696
630
174
Cosine
0.7722
1.004
1
0.8304
0
696
701
174
Cosine
0.8304
31.014
31
0.7651
0
696
703
174
Cosine
0.7651
-1.013
-1
0.7363
0
696
704
174
Cosine
0.7363
-1.998
-1
0.8515
0
93
292
61
Cosine
0.8515
29.974
29
0.8929
0
93
266
61
Cosine
0.8929
-49.052
-49
0.8647
0
1284
1219
19
Cosine
0.8647
44.027
44
0.8853
0
1284
1214
19
Cosine
0.8853
-99.088
-99
0.7753
0
1284
1218
19
Cosine
0.7753
-67.063
-67
0.8283
0
1284
1231
19
Cosine
0.8283
18.011
18
0.9062
0
1284
1206
19
Cosine
0.9062
46.041
46
0.8311
0
1284
1222
19
Cosine
0.8311
-35.037
-35
0.8429
0
1284
1230
19
Cosine
0.8429
60.058
60
0.8365
0
1284
1275
19
Cosine
0.8365
-17.027
-17
0.9184
0
236
234
17
Cosine
0.9184
-40.032
-40
0.9154
0
567
628
203
Cosine
0.9154
44.026
44
0.9154
0
1274
1272
23
Cosine
0.9154
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-72
0.8579
0
1274
1190
23
Cosine
0.8579
44.026
44
0.9009
0
1274
1280
23
Cosine
0.9009
-28.031
-28
0.931
0
1274
1188
23
Cosine
0.931
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-40
0.8946
0
1274
1038
23
Cosine
0.8946
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-84
0.9177
0
1274
1042
23
Cosine
0.9177
-59.074
-59
0.9151
0
234
342
17
Cosine
0.9151
17.063
17
0.9177
0
234
156
17
Cosine
0.9177
-28.031
-28
0.9489
0
1476
1430
33
Cosine
0.9489
-42.047
-42
0.9303
0
1476
1424
33
Cosine
0.9303
-14.015
-14
0.9501
0
1476
1449
33
Cosine
0.9501
-16.031
-16
0.9333
0
1476
1412
33
Cosine
0.9333
-30.047
-30
0.9138
0
1476
1391
33
Cosine
0.9138
15.995
15
0.8914
0
1476
1399
33
Cosine
0.8914
-2.016
-2
0.954
0
1476
1431
33
Cosine
0.954
-285.064
-285
0.8616
0
449
138
115
Cosine
0.8616
41.027
41
0.9164
0
417
421
49
Cosine
0.9164
-14.016
-14
0.9373
0
417
620
49
Cosine
0.9373
-2.017
-2
0.8262
0
1334
1341
111
Cosine
0.8262
11.999
11
0.7696
0
1334
1347
111
Cosine
0.7696
0.0
0
0.9696
0
1139
1186
82
Cosine
0.9696
-14.016
-14
0.8825
0
1139
1140
82
Cosine
0.8825
14.016
14
0.8486
0
1139
1152
82
Cosine
0.8486
-128.047
-128
0.875
0
609
460
115
Cosine
0.875
0.0
0
0.9348
0
1
382
32
Cosine
0.9348
18.023
18
0.8496
0
1
833
32
Cosine
0.8496
-27.995
-27
0.8905
0
333
329
88
Cosine
0.8905
-1.998
-1
0.8722
0
333
506
88
Cosine
0.8722
-99.068
-99
0.9196
0
333
422
88
Cosine
0.9196
-16.031
-16
0.9334
0
333
521
88
Cosine
0.9334
-269.069
-269
0.8564
0
138
460
115
Cosine
0.8564
256.153
256
0.7707
0
764
672
1
Cosine
0.7707
240.158
240
0.7648
0
764
688
1
Cosine
0.7648
-368.169
-368
0.9652
0
456
457
30
Cosine
0.9652
-262.23
-262
0.9054
0
1462
1293
155
Cosine
0.9054
1.003
1
0.946
0
1462
1457
155
Cosine
0.946
230.163
230
0.8912
0
360
505
7
Cosine
0.8912
73.018
73
0.807
0
1151
1153
42
Cosine
0.807
-239.083
-239
0.7298
0
1151
1064
42
Cosine
0.7298
74.019
74
0.8224
0
1151
1160
42
Cosine
0.8224
-148.038
-148
0.8281
0
1151
1129
42
Cosine
0.8281
-222.057
-222
0.7167
0
1151
1062
42
Cosine
0.7167
-2.015
-2
0.9208
0
629
679
210
Cosine
0.9208
-26.036
-26
0.8156
0
1150
1091
75
Cosine
0.8156
-0.021
0
0.8117
0
1150
1111
75
Cosine
0.8117
-12.02
-12
0.8172
0
1150
1120
75
Cosine
0.8172
1.995
1
0.8484
0
1150
1143
75
Cosine
0.8484
15.958
15
0.9458
0
412
290
7
Cosine
0.9458
-48.0
-48
0.939
0
412
651
7
Cosine
0.939
-48.0
-48
0.9286
0
412
282
7
Cosine
0.9286
-48.0
-48
0.8999
0
412
401
7
Cosine
0.8999
29.974
29
0.936
0
412
319
7
Cosine
0.936
71.037
71
0.8935
0
412
565
7
Cosine
0.8935
-99.068
-99
0.8994
0
412
202
7
Cosine
0.8994
33.984
33
0.9215
0
412
505
7
Cosine
0.9215
-4.11
-4
0.9814
0
988
926
30
Cosine
0.9814
-0.0
0
0.9599
0
988
1551
30
Cosine
0.9599
1.943
1
0.985
0
988
1141
30
Cosine
0.985
15.995
15
0.9436
0
688
672
1
Cosine
0.9436
34.006
34
0.7361
0
688
476
1
Cosine
0.7361
-2.011
-2
0.8835
0
1010
1011
82
Cosine
0.8835
1.008
1
0.8715
0
1010
1009
82
Cosine
0.8715
-15.023
-15
0.8676
0
1010
1034
82
Cosine
0.8676
15.024
15
0.8486
0
1010
1152
82
Cosine
0.8486
-224.214
-224
0.8334
0
1460
1438
9
Cosine
0.8334
-32.024
-32
0.9341
0
153
123
76
Cosine
0.9341
-204.188
-204
0.8729
0
1241
1383
67
Cosine
0.8729
77.048
77
0.8925
0
1241
1242
67
Cosine
0.8925
-272.251
-272
0.8612
0
1241
1443
67
Cosine
0.8612
15.995
15
0.702
0
1509
1370
41
Cosine
0.702
-290.224
-290
0.8673
0
1509
1327
41
Cosine
0.8673
596.539
596
0.8588
0
1456
1464
9
Cosine
0.8588
-42.011
-42
0.9004
0
156
342
17
Cosine
0.9004
-96.156
-96
0.8654
0
621
16
75
Cosine
0.8654
-169.11
-169
0.7847
0
621
20
75
Cosine
0.7847
-80.179
-80
0.7958
0
621
23
75
Cosine
0.7958
-14.016
-14
0.9507
0
621
415
75
Cosine
0.9507
-13.012
-13
0.9128
0
1034
1011
82
Cosine
0.9128
-14.016
-14
0.9153
0
1034
1009
82
Cosine
0.9153
44.026
44
0.9065
0
1042
1048
23
Cosine
0.9065
-12.036
-12
0.8832
0
1042
1190
23
Cosine
0.8832
-40.068
-40
0.8748
0
1042
1280
23
Cosine
0.8748
-132.079
-132
0.8594
0
1042
1044
23
Cosine
0.8594
-56.063
-56
0.923
0
1042
1188
23
Cosine
0.923
44.026
44
0.9465
0
1042
1038
23
Cosine
0.9465
88.052
88
0.8968
0
1042
1056
23
Cosine
0.8968
-56.063
-56
0.9096
0
475
245
7
Cosine
0.9096
-42.047
-42
0.9422
0
475
181
7
Cosine
0.9422
-85.053
-85
0.9329
0
475
468
7
Cosine
0.9329
14.016
14
0.9654
0
475
505
7
Cosine
0.9654
14.016
14
0.9008
0
809
776
224
Cosine
0.9008
-31.972
-31
0.881
0
809
568
224
Cosine
0.881
-14.016
-14
0.8679
0
532
612
287
Cosine
0.8679
-1.003
-1
0.9498
0
1011
1009
82
Cosine
0.9498
-28.031
-28
0.8155
0
1273
1309
123
Cosine
0.8155
637.433
637
0.8071
0
1340
1335
111
Cosine
0.8071
-16.031
-16
0.8171
0
1340
1341
111
Cosine
0.8171
-2.016
-2
0.9102
0
1340
1347
111
Cosine
0.9102
-636.431
-636
0.9457
0
1340
1352
111
Cosine
0.9457
42.964
42
0.8524
0
1340
1397
111
Cosine
0.8524
-2.016
-2
0.7829
0
1421
1376
9
Cosine
0.7829
-28.031
-28
0.8002
0
1421
1464
9
Cosine
0.8002
13.979
13
0.8502
0
1421
1471
9
Cosine
0.8502
33.961
33
0.9304
0
805
877
34
Cosine
0.9304
-33.961
-33
0.9446
0
805
786
34
Cosine
0.9446
-260.214
-260
0.8337
0
1355
1015
39
Cosine
0.8337
-4.031
-4
0.9874
0
1355
1306
39
Cosine
0.9874
-2.016
-2
0.9885
0
1355
1325
39
Cosine
0.9885
26.016
26
0.9705
0
1355
1366
39
Cosine
0.9705
-2.016
-2
0.9812
0
1355
1390
39
Cosine
0.9812
-28.031
-28
0.8747
0
555
773
129
Cosine
0.8747
88.052
88
0.8918
0
1048
1038
23
Cosine
0.8918
44.026
44
0.9007
0
1048
1056
23
Cosine
0.9007
-100.089
-100
0.8304
0
1048
1188
23
Cosine
0.8304
-56.062
-56
0.9012
0
1048
1190
23
Cosine
0.9012
-84.094
-84
0.8902
0
1048
1280
23
Cosine
0.8902
-14.016
-14
0.9259
0
122
146
290
Cosine
0.9259
-16.031
-16
0.8989
0
120
344
50
Cosine
0.8989
-0.0
0
0.9854
0
1480
1447
60
Cosine
0.9854
34.006
34
0.9603
0
1135
1267
15
Cosine
0.9603
190.083
190
0.9661
0
1135
1184
15
Cosine
0.9661
0.001
0
0.9784
0
1135
1144
15
Cosine
0.9784
0.0
0
0.9858
0
1135
1166
15
Cosine
0.9858
30.012
30
0.9478
0
1135
1175
15
Cosine
0.9478
181.046
181
0.8258
0
311
471
38
Cosine
0.8258
-28.031
-28
0.9337
0
1178
1281
20
Cosine
0.9337
13.944
13
0.825
0
994
892
89
Cosine
0.825
29.974
29
0.8456
0
994
979
89
Cosine
0.8456
2.052
2
0.8574
0
994
1006
89
Cosine
0.8574
43.954
43
0.8659
0
994
845
89
Cosine
0.8659
162.052
162
0.8917
0
824
846
62
Cosine
0.8917
192.062
192
0.8571
0
824
858
62
Cosine
0.8571
15.995
15
0.9223
0
824
835
62
Cosine
0.9223
28.977
28
0.8439
0
824
831
62
Cosine
0.8439
-1.003
-1
0.9364
0
738
737
316
Cosine
0.9364
-18.012
-18
0.7052
0
760
701
174
Cosine
0.7052
15.995
15
0.8344
0
119
237
10
Cosine
0.8344
-18.01
-18
0.919
0
119
124
10
Cosine
0.919
30.01
30
0.8781
0
119
139
10
Cosine
0.8781
-48.0
-48
0.811
0
119
291
10
Cosine
0.811
43.042
43
0.8073
0
906
895
18
Cosine
0.8073
18.01
18
0.9226
0
906
919
18
Cosine
0.9226
-133.089
-133
0.7114
0
906
1109
18
Cosine
0.7114
-283.288
-283
0.7831
0
906
1310
18
Cosine
0.7831
0.046
0
0.9135
0
1357
1337
28
Cosine
0.9135
-1.003
-1
0.8823
0
1357
1353
28
Cosine
0.8823
-0.998
0
0.8872
0
1357
1361
28
Cosine
0.8872
0.0
0
0.9409
0
598
530
195
Cosine
0.9409
2.005
2
0.9422
0
727
730
229
Cosine
0.9422
-14.016
-14
0.9212
0
247
362
85
Cosine
0.9212
-2.016
-2
0.8611
0
1466
1435
9
Cosine
0.8611
-28.031
-28
0.8425
0
1466
1438
9
Cosine
0.8425
12.0
12
0.7988
0
1466
1450
9
Cosine
0.7988
-14.015
-14
0.8017
0
1466
1464
9
Cosine
0.8017
-1.003
-1
0.8403
0
1466
1478
9
Cosine
0.8403
-610.554
-610
0.8184
0
1466
1479
9
Cosine
0.8184
27.995
27
0.8376
0
1466
1512
9
Cosine
0.8376
15.996
15
0.8735
0
1006
892
89
Cosine
0.8735
46.007
46
0.9021
0
1006
845
89
Cosine
0.9021
14.016
14
0.9357
0
285
228
337
Cosine
0.9357
-68.063
-68
0.9131
0
1443
1383
67
Cosine
0.9131
18.011
18
0.8451
0
1277
1147
19
Cosine
0.8451
46.041
46
0.8675
0
1277
1248
19
Cosine
0.8675
-110.072
-110
0.892
0
1277
1071
19
Cosine
0.892
34.006
34
0.8608
0
1277
1131
19
Cosine
0.8608
3.995
3
0.8361
0
1277
1162
19
Cosine
0.8361
18.011
18
0.8964
0
1277
1249
19
Cosine
0.8964
57.995
57
0.9659
0
441
406
30
Cosine
0.9659
-156.01
-156
0.9593
0
441
803
30
Cosine
0.9593
-210.136
-210
0.8669
0
767
628
203
Cosine
0.8669
1.011
1
0.8305
0
960
949
13
Cosine
0.8305
18.039
18
0.781
0
960
950
13
Cosine
0.781
-0.951
0
0.9365
0
1299
1316
28
Cosine
0.9365
-1.003
-1
0.9297
0
1299
1301
28
Cosine
0.9297
1.049
1
0.9318
0
1299
1312
28
Cosine
0.9318
0.0
0
0.9393
0
786
877
34
Cosine
0.9393
-15.995
-15
0.8951
0
786
804
34
Cosine
0.8951
-33.984
-33
0.9348
0
618
676
40
Cosine
0.9348
23.975
23
0.8959
0
618
149
40
Cosine
0.8959
-1.003
-1
0.9044
0
618
617
40
Cosine
0.9044
86.036
86
0.8979
0
179
275
131
Cosine
0.8979
-0.0
0
0.8964
0
179
258
131
Cosine
0.8964
-16.031
-16
0.9035
0
1438
1376
9
Cosine
0.9035
27.995
27
0.8241
0
1438
1471
9
Cosine
0.8241
-0.036
0
0.8694
0
1438
1512
9
Cosine
0.8694
26.016
26
0.9199
0
1438
1435
9
Cosine
0.9199
-14.016
-14
0.9212
0
1438
1464
9
Cosine
0.9212
-2.016
-2
0.9113
0
1438
1400
9
Cosine
0.9113
12.0
12
0.896
0
1438
1416
9
Cosine
0.896
0.984
0
0.8459
0
165
68
200
Cosine
0.8459
580.508
580
0.7876
0
1393
1400
9
Cosine
0.7876
-14.016
-14
0.9011
0
1392
1377
9
Cosine
0.9011
-14.016
-14
0.9814
0
1088
1112
30
Cosine
0.9814
30.01
30
0.9844
0
1088
1052
30
Cosine
0.9844
-1.067
-1
0.9855
0
1088
887
30
Cosine
0.9855
-176.25
-176
0.9775
0
1088
406
30
Cosine
0.9775
-128.251
-128
0.9752
0
1088
479
30
Cosine
0.9752
-18.177
-18
0.9812
0
1088
814
30
Cosine
0.9812
-14.016
-14
0.9804
0
1088
1057
30
Cosine
0.9804
-25.979
-25
0.9772
0
1088
1114
30
Cosine
0.9772
-28.031
-28
0.9366
0
795
755
11
Cosine
0.9366
-15.082
-15
0.9753
0
887
1112
30
Cosine
0.9753
-175.184
-175
0.9763
0
887
406
30
Cosine
0.9763
-17.111
-17
0.9797
0
887
814
30
Cosine
0.9797
-12.852
-12
0.9722
0
887
1002
30
Cosine
0.9722
12.949
12
0.9776
0
887
1057
30
Cosine
0.9776
-27.046
-27
0.9705
0
887
1114
30
Cosine
0.9705
0.052
0
0.9495
0
1301
1316
28
Cosine
0.9495
2.052
2
0.8861
0
1301
1312
28
Cosine
0.8861
-56.011
-56
0.7998
0
1301
1361
28
Cosine
0.7998
17.91
17
0.8004
0
911
909
100
Cosine
0.8004
30.01
30
0.8257
0
291
316
10
Cosine
0.8257
88.049
88
0.8704
0
480
224
115
Cosine
0.8704
-2.015
-2
0.9332
0
1430
1391
33
Cosine
0.9332
44.026
44
0.9133
0
1430
1399
33
Cosine
0.9133
12.0
12
0.9303
0
1430
1412
33
Cosine
0.9303
-14.016
-14
0.9318
0
1430
1424
33
Cosine
0.9318
-26.016
-26
0.9215
0
1430
1431
33
Cosine
0.9215
-14.016
-14
0.9526
0
1430
1449
33
Cosine
0.9526
1.003
1
0.9441
0
1300
1296
57
Cosine
0.9441
-112.125
-112
0.9758
0
1300
1136
57
Cosine
0.9758
67.063
67
0.849
0
1219
1206
19
Cosine
0.849
93.079
93
0.8171
0
1219
1214
19
Cosine
0.8171
-50.036
-50
0.8504
0
1219
1218
19
Cosine
0.8504
-95.094
-95
0.8008
0
1219
1222
19
Cosine
0.8008
102.105
102
0.785
0
1219
1224
19
Cosine
0.785
178.121
178
0.7862
0
1219
1229
19
Cosine
0.7862
18.011
18
0.8633
0
1219
1231
19
Cosine
0.8633
-25.979
-25
0.8298
0
1219
1238
19
Cosine
0.8298
-100.089
-100
0.867
0
1190
1056
23
Cosine
0.867
44.026
44
0.9297
0
1190
1188
23
Cosine
0.9297
-28.031
-28
0.9321
0
1190
1280
23
Cosine
0.9321
-18.01
-18
0.8783
0
140
139
10
Cosine
0.8783
30.01
30
0.9266
0
140
124
10
Cosine
0.9266
1.001
1
0.7951
0
1160
1153
42
Cosine
0.7951
-165.064
-165
0.7912
0
1160
1064
42
Cosine
0.7912
-148.037
-148
0.7793
0
1160
1062
42
Cosine
0.7793
-74.019
-74
0.9197
0
1160
1129
42
Cosine
0.9197
-14.015
-14
0.9401
0
1532
1526
116
Cosine
0.9401
-28.032
-28
0.9307
0
1532
1545
116
Cosine
0.9307
18.011
18
0.831
0
476
672
1
Cosine
0.831
-72.021
-72
0.8911
0
545
384
59
Cosine
0.8911
-28.031
-28
0.9381
0
1212
1271
178
Cosine
0.9381
44.026
44
0.9226
0
1119
1130
23
Cosine
0.9226
176.105
176
0.7191
0
1119
1108
23
Cosine
0.7191
132.079
132
0.8401
0
1119
1117
23
Cosine
0.8401
-44.026
-44
0.92
0
1119
1127
23
Cosine
0.92
220.132
220
0.7895
0
1119
1107
23
Cosine
0.7895
17.008
17
0.8623
0
987
869
113
Cosine
0.8623
-1.003
-1
0.9467
0
987
982
113
Cosine
0.9467
15.972
15
0.8059
0
689
681
355
Cosine
0.8059
31.896
31
0.96
0
961
803
30
Cosine
0.96
-4.104
-4
0.9608
0
961
683
30
Cosine
0.9608
17.027
17
0.9003
0
940
942
372
Cosine
0.9003
-16.068
-16
0.9565
0
1482
1419
47
Cosine
0.9565
-42.047
-42
0.9121
0
1285
1317
134
Cosine
0.9121
17.974
17
0.892
0
720
483
222
Cosine
0.892
15.995
15
0.9275
0
85
121
71
Cosine
0.9275
30.011
30
0.944
0
85
104
71
Cosine
0.944
1.003
1
0.9253
0
150
149
40
Cosine
0.9253
-26.016
-26
0.902
0
150
70
40
Cosine
0.902
-50.016
-50
0.9283
0
150
366
40
Cosine
0.9283
23.975
23
0.8954
0
150
617
40
Cosine
0.8954
-27.995
-27
0.8863
0
167
185
197
Cosine
0.8863
-42.01
-42
0.8438
0
167
208
197
Cosine
0.8438
44.026
44
0.9383
0
1016
1018
90
Cosine
0.9383
88.052
88
0.8848
0
1016
1020
90
Cosine
0.8848
18.01
18
0.7704
0
872
873
231
Cosine
0.7704
1.049
1
0.9138
0
1337
1353
28
Cosine
0.9138
-0.952
0
0.9403
0
1337
1361
28
Cosine
0.9403
14.016
14
0.879
0
1186
1140
82
Cosine
0.879
-44.026
-44
0.9019
0
780
810
34
Cosine
0.9019
-16.998
-16
0.9117
0
780
800
34
Cosine
0.9117
-49.956
-49
0.9031
0
780
827
34
Cosine
0.9031
-15.995
-15
0.9464
0
780
798
34
Cosine
0.9464
48.022
48
0.7091
0
630
703
174
Cosine
0.7091
18.011
18
0.9214
0
886
820
233
Cosine
0.9214
-792.607
-792
0.8198
0
1146
20
75
Cosine
0.8198
324.106
324
0.7154
0
34
37
246
Cosine
0.7154
-74.019
-74
0.7764
0
1320
1339
255
Cosine
0.7764
-82.042
-82
0.7632
0
934
826
149
Cosine
0.7632
-32.042
-32
0.9447
0
651
290
7
Cosine
0.9447
-147.068
-147
0.9215
0
651
202
7
Cosine
0.9215
-18.026
-18
0.9454
0
651
319
7
Cosine
0.9454
-48.0
-48
0.9489
0
651
455
7
Cosine
0.9489
-119.037
-119
0.9152
0
651
565
7
Cosine
0.9152
88.052
88
0.9054
0
1245
1232
23
Cosine
0.9054
44.026
44
0.9274
0
1245
1244
23
Cosine
0.9274
44.026
44
0.9313
0
1245
1247
23
Cosine
0.9313
132.079
132
0.8577
0
1245
1254
23
Cosine
0.8577
-28.006
-28
0.9003
0
126
83
7
Cosine
0.9003
-28.031
-28
0.8259
0
1108
1032
23
Cosine
0.8259
44.026
44
0.8051
0
1108
1107
23
Cosine
0.8051
44.026
44
0.7982
0
1108
1117
23
Cosine
0.7982
132.079
132
0.7664
0
1108
1127
23
Cosine
0.7664
-17.028
-17
0.874
0
950
949
13
Cosine
0.874
-0.036
0
0.8786
0
1490
1424
33
Cosine
0.8786
30.011
30
0.9307
0
754
724
253
Cosine
0.9307
-79.954
-79
0.7896
0
899
884
13
Cosine
0.7896
3.007
3
0.7972
0
899
903
13
Cosine
0.7972
-30.047
-30
0.8925
0
1464
1376
9
Cosine
0.8925
42.011
42
0.803
0
1464
1471
9
Cosine
0.803
13.979
13
0.8216
0
1464
1512
9
Cosine
0.8216
-16.031
-16
0.9324
0
1464
1400
9
Cosine
0.9324
-2.016
-2
0.908
0
1464
1416
9
Cosine
0.908
26.016
26
0.8077
0
1464
1450
9
Cosine
0.8077
15.995
15
0.8688
0
821
792
62
Cosine
0.8688
-2.015
-2
0.872
0
821
835
62
Cosine
0.872
14.016
14
0.9507
0
181
245
7
Cosine
0.9507
32.026
32
0.8968
0
181
83
7
Cosine
0.8968
43.006
43
0.9322
0
181
468
7
Cosine
0.9322
-28.031
-28
0.9169
0
181
505
7
Cosine
0.9169
79.009
79
0.9366
0
106
118
164
Cosine
0.9366
57.02
57
0.7038
0
1118
1074
19
Cosine
0.7038
-14.015
-14
0.904
0
1118
1189
19
Cosine
0.904
-32.193
-32
0.9761
0
814
1112
30
Cosine
0.9761
39.865
39
0.9775
0
814
1043
30
Cosine
0.9775
-48.188
-48
0.9773
0
814
1052
30
Cosine
0.9773
-44.156
-44
0.9756
0
814
1114
30
Cosine
0.9756
-158.073
-158
0.9742
0
814
406
30
Cosine
0.9742
-4.161
-4
0.9768
0
814
1057
30
Cosine
0.9768
-13.989
-13
0.9622
0
815
1002
30
Cosine
0.9622
111.09
111
0.7126
0
1217
1209
19
Cosine
0.7126
33.028
33
0.7398
0
1217
1218
19
Cosine
0.7398
-31.023
-31
0.7413
0
1217
1230
19
Cosine
0.7413
1.003
1
0.867
0
1217
1231
19
Cosine
0.867
-42.987
-42
0.7477
0
1217
1238
19
Cosine
0.7477
-53.038
-53
0.798
0
894
904
166
Cosine
0.798
-2.016
-2
0.9046
0
1111
1143
75
Cosine
0.9046
-26.016
-26
0.9066
0
1111
1091
75
Cosine
0.9066
12.0
12
0.8926
0
1111
1120
75
Cosine
0.8926
-17.026
-17
0.9103
0
351
353
353
Cosine
0.9103
-56.063
-56
0.8154
0
1361
1316
28
Cosine
0.8154
-2.001
-2
0.8696
0
1361
1353
28
Cosine
0.8696
29.975
29
0.7574
0
973
1101
45
Cosine
0.7574
-152.974
-152
0.797
0
22
25
75
Cosine
0.797
-23.016
-23
0.8767
0
22
23
75
Cosine
0.8767
-14.016
-14
0.8267
0
1450
1435
9
Cosine
0.8267
10.997
10
0.832
0
1450
1478
9
Cosine
0.832
-16.032
-16
0.8139
0
1450
1406
9
Cosine
0.8139
-28.031
-28
0.8356
0
1450
1416
9
Cosine
0.8356
-2.015
-2
0.9705
0
1433
1417
44
Cosine
0.9705
-0.037
0
0.9629
0
1433
1523
44
Cosine
0.9629
-28.032
-28
0.9399
0
1403
1446
63
Cosine
0.9399
-56.063
-56
0.9189
0
1403
1518
63
Cosine
0.9189
-14.016
-14
0.9476
0
1403
1428
63
Cosine
0.9476
15.995
15
0.908
0
1403
1453
63
Cosine
0.908
-14.016
-14
0.9504
0
1403
1454
63
Cosine
0.9504
-2.016
-2
0.9405
0
1403
1459
63
Cosine
0.9405
-28.031
-28
0.936
0
1403
1486
63
Cosine
0.936
248.069
248
0.9709
0
464
479
30
Cosine
0.9709
-2.016
-2
0.8999
0
1527
1502
54
Cosine
0.8999
18.01
18
0.8577
0
1004
1001
103
Cosine
0.8577
18.023
18
0.8456
0
382
833
32
Cosine
0.8456
128.085
128
0.8425
0
1229
1218
19
Cosine
0.8425
76.016
76
0.7677
0
1229
1224
19
Cosine
0.7677
0.0
0
0.9487
0
1481
1516
168
Cosine
0.9487
24.0
24
0.9466
0
1481
1521
168
Cosine
0.9466
24.0
24
0.9444
0
1481
1534
168
Cosine
0.9444
-113.128
-113
0.9332
0
1296
1136
57
Cosine
0.9332
-26.016
-26
0.9017
0
1214
1206
19
Cosine
0.9017
1.004
1
0.7716
0
1214
1209
19
Cosine
0.7716
-2.014
-2
0.829
0
1214
1222
19
Cosine
0.829
79.064
79
0.8223
0
1214
1230
19
Cosine
0.8223
111.09
111
0.7823
0
1214
1231
19
Cosine
0.7823
-43.988
-43
0.7312
0
1214
1237
19
Cosine
0.7312
-16.031
-16
0.8027
0
1214
1275
19
Cosine
0.8027
15.995
15
0.9142
0
477
199
131
Cosine
0.9142
162.053
162
0.8379
0
42
40
246
Cosine
0.8379
-162.053
-162
0.7552
0
42
41
246
Cosine
0.7552
-33.984
-33
0.9134
0
214
310
27
Cosine
0.9134
55.991
55
0.7374
0
1017
935
45
Cosine
0.7374
-42.011
-42
0.706
0
1017
1101
45
Cosine
0.706
1.003
1
0.8793
0
1354
1350
110
Cosine
0.8793
-42.011
-42
0.9135
0
182
385
17
Cosine
0.9135
-256.183
-256
0.8298
0
1306
1015
39
Cosine
0.8298
-2.015
-2
0.9861
0
1306
1325
39
Cosine
0.9861
21.984
21
0.9633
0
1306
1366
39
Cosine
0.9633
-6.047
-6
0.9691
0
1306
1390
39
Cosine
0.9691
-14.016
-14
0.9185
0
185
208
197
Cosine
0.9185
195.056
195
0.927
0
145
158
164
Cosine
0.927
-29.015
-29
0.8795
0
761
850
115
Cosine
0.8795
11.964
11
0.8282
0
1471
1376
9
Cosine
0.8282
176.032
176
0.8324
0
1471
1377
9
Cosine
0.8324
25.979
25
0.7995
0
1471
1400
9
Cosine
0.7995
-28.031
-28
0.8587
0
1471
1512
9
Cosine
0.8587
-0.0
0
0.9554
0
996
984
116
Cosine
0.9554
0.942
0
0.854
0
1257
1105
15
Cosine
0.854
-149.038
-149
0.7049
0
1153
1062
42
Cosine
0.7049
-75.019
-75
0.7438
0
1153
1129
42
Cosine
0.7438
-150.036
-150
0.7288
0
1153
1236
42
Cosine
0.7288
41.027
41
0.9097
0
1143
1149
75
Cosine
0.9097
-226.207
-226
0.7776
0
1143
20
75
Cosine
0.7776
-28.031
-28
0.9024
0
1143
1091
75
Cosine
0.9024
-14.016
-14
0.9244
0
1143
1120
75
Cosine
0.9244
-4.031
-4
0.9718
0
1507
1543
51
Cosine
0.9718
-47.997
-47
0.9483
0
73
92
125
Cosine
0.9483
514.196
514
0.7009
0
698
704
174
Cosine
0.7009
-17.028
-17
0.8715
0
698
697
174
Cosine
0.8715
-72.058
-72
0.9743
0
1043
1112
30
Cosine
0.9743
-84.021
-84
0.9684
0
1043
1114
30
Cosine
0.9684
-0.0
0
0.9476
0
519
388
139
Cosine
0.9476
73.089
73
0.8536
0
1401
1408
374
Cosine
0.8536
-91.045
-91
0.8719
0
1062
1000
42
Cosine
0.8719
17.026
17
0.8666
0
1062
1064
42
Cosine
0.8666
-74.019
-74
0.7991
0
1062
1129
42
Cosine
0.7991
162.053
162
0.7247
0
33
37
246
Cosine
0.7247
324.106
324
0.7109
0
33
40
246
Cosine
0.7109
-33.029
-33
0.7286
0
703
708
174
Cosine
0.7286
-32.026
-32
0.8302
0
703
704
174
Cosine
0.8302
30.01
30
0.7119
0
703
701
174
Cosine
0.7119
-14.016
-14
0.8971
0
1400
1376
9
Cosine
0.8971
-2.052
-2
0.8479
0
1400
1512
9
Cosine
0.8479
-28.031
-28
0.8049
0
1400
1435
9
Cosine
0.8049
-26.016
-26
0.8739
0
1400
1406
9
Cosine
0.8739
-14.016
-14
0.9294
0
1400
1416
9
Cosine
0.9294
-15.995
-15
0.745
0
933
955
254
Cosine
0.745
-35.037
-35
0.8956
0
933
937
254
Cosine
0.8956
-14.016
-14
0.9404
0
1446
1428
63
Cosine
0.9404
44.026
44
0.8857
0
1446
1453
63
Cosine
0.8857
14.016
14
0.9515
0
1446
1454
63
Cosine
0.9515
0.0
0
0.9658
0
1446
1486
63
Cosine
0.9658
-28.031
-28
0.9187
0
1446
1518
63
Cosine
0.9187
31.99
31
0.9423
0
97
121
71
Cosine
0.9423
61.053
61
0.7151
0
919
895
18
Cosine
0.7151
-151.1
-151
0.7692
0
919
1109
18
Cosine
0.7692
-301.298
-301
0.764
0
919
1310
18
Cosine
0.764
390.277
390
0.9364
0
1195
1193
271
Cosine
0.9364
44.026
44
0.912
0
1232
1244
23
Cosine
0.912
132.078
132
0.8738
0
1232
1247
23
Cosine
0.8738
0.0
0
0.9629
0
216
295
40
Cosine
0.9629
-1.003
-1
0.8946
0
216
298
40
Cosine
0.8946
-42.047
-42
0.9355
0
216
617
40
Cosine
0.9355
13.979
13
0.9111
0
379
361
50
Cosine
0.9111
-13.979
-13
0.9012
0
379
511
50
Cosine
0.9012
-47.964
-47
0.9044
0
379
579
50
Cosine
0.9044
3.994
3
0.9353
0
1175
1267
15
Cosine
0.9353
160.072
160
0.939
0
1175
1184
15
Cosine
0.939
30.011
30
0.9595
0
1175
1144
15
Cosine
0.9595
30.012
30
0.9468
0
1175
1166
15
Cosine
0.9468
-3.019
-3
0.7148
0
708
701
174
Cosine
0.7148
-1.003
-1
0.8266
0
708
704
174
Cosine
0.8266
-9.445
-9
0.7653
0
799
622
14
Cosine
0.7653
-190.266
-190
0.9714
0
406
1112
30
Cosine
0.9714
-206.261
-206
0.9732
0
406
1052
30
Cosine
0.9732
-188.036
-188
0.9669
0
406
1002
30
Cosine
0.9669
-202.229
-202
0.965
0
406
1114
30
Cosine
0.965
-48.0
-48
0.9683
0
406
479
30
Cosine
0.9683
-162.234
-162
0.97
0
406
1057
30
Cosine
0.97
44.026
44
0.914
0
1018
1020
90
Cosine
0.914
-74.019
-74
0.8236
0
1064
1000
42
Cosine
0.8236
-91.045
-91
0.7903
0
1064
1129
42
Cosine
0.7903
-11.006
-11
0.7646
0
1265
1252
19
Cosine
0.7646
-14.015
-14
0.7925
0
1265
1147
19
Cosine
0.7925
-14.015
-14
0.8993
0
1265
1249
19
Cosine
0.8993
43.99
43
0.7377
0
1265
1279
19
Cosine
0.7377
92.805
92
0.9607
0
785
868
30
Cosine
0.9607
-104.036
-104
0.9694
0
785
1002
30
Cosine
0.9694
-2.0
-2
0.8931
0
1316
1312
28
Cosine
0.8931
-72.058
-72
0.8638
0
1188
1272
23
Cosine
0.8638
15.995
15
0.8922
0
1188
1280
23
Cosine
0.8922
-12.036
-12
0.8787
0
1188
1038
23
Cosine
0.8787
3.958
3
0.8766
0
1044
1272
23
Cosine
0.8766
-128.12
-128
0.8525
0
1044
1254
23
Cosine
0.8525
-88.052
-88
0.8852
0
1044
1038
23
Cosine
0.8852
-0.036
0
0.9675
0
1492
1420
53
Cosine
0.9675
-3.983
-3
0.9654
0
1492
1442
53
Cosine
0.9654
-1.004
-1
0.9675
0
1492
1495
53
Cosine
0.9675
-2.052
-2
0.9679
0
1417
1523
44
Cosine
0.9679
146.056
146
0.8396
0
835
846
62
Cosine
0.8396
13.98
13
0.8738
0
835
792
62
Cosine
0.8738
176.067
176
0.8522
0
835
858
62
Cosine
0.8522
-12.982
-12
0.8801
0
835
831
62
Cosine
0.8801
0.0
0
0.9716
0
828
812
30
Cosine
0.9716
3.974
3
0.9573
0
828
1551
30
Cosine
0.9573
134.058
134
0.8605
0
509
747
230
Cosine
0.8605
-14.015
-14
0.9027
0
342
385
17
Cosine
0.9027
-134.9
-134
0.9648
0
854
1002
30
Cosine
0.9648
-42.047
-42
0.9215
0
1454
1518
63
Cosine
0.9215
-14.015
-14
0.9505
0
1454
1486
63
Cosine
0.9505
-0.0
0
0.9399
0
1454
1428
63
Cosine
0.9399
-30.01
-30
0.9033
0
1454
1453
63
Cosine
0.9033
-99.069
-99
0.7119
0
433
327
267
Cosine
0.7119
-42.047
-42
0.8943
0
1428
1518
63
Cosine
0.8943
-14.015
-14
0.9419
0
1428
1486
63
Cosine
0.9419
30.01
30
0.9033
0
1428
1453
63
Cosine
0.9033
-4.11
-4
0.9648
0
1551
926
30
Cosine
0.9648
-1.943
-1
0.9706
0
1551
1141
30
Cosine
0.9706
-128.082
-128
0.8825
0
944
1074
19
Cosine
0.8825
-142.098
-142
0.7579
0
944
1158
19
Cosine
0.7579
13.979
13
0.7765
0
1323
1240
36
Cosine
0.7765
-4.031
-4
0.7828
0
1323
1288
36
Cosine
0.7828
-28.031
-28
0.8895
0
1416
1376
9
Cosine
0.8895
11.964
11
0.8176
0
1416
1512
9
Cosine
0.8176
-14.016
-14
0.9063
0
1416
1435
9
Cosine
0.9063
12.0
12
0.8769
0
1416
1406
9
Cosine
0.8769
15.995
15
0.7228
0
667
687
239
Cosine
0.7228
-115.027
-115
0.9264
0
202
290
7
Cosine
0.9264
-10.009
-10
0.9065
0
202
38
7
Cosine
0.9065
-129.043
-129
0.902
0
202
319
7
Cosine
0.902
-28.031
-28
0.9658
0
202
565
7
Cosine
0.9658
2.005
2
0.9077
0
724
723
253
Cosine
0.9077
-128.12
-128
0.8792
0
1280
1056
23
Cosine
0.8792
-63.995
-63
0.9062
0
409
434
27
Cosine
0.9062
-48.0
-48
0.9377
0
409
638
27
Cosine
0.9377
-15.995
-15
0.9227
0
172
271
97
Cosine
0.9227
-162.053
-162
0.9532
0
172
171
97
Cosine
0.9532
180.068
180
0.8588
0
125
136
94
Cosine
0.8588
-238.266
-238
0.9102
0
447
1187
8
Cosine
0.9102
-79.957
-79
0.81
0
882
907
3
Cosine
0.81
132.079
132
0.8869
0
1254
1272
23
Cosine
0.8869
88.053
88
0.9238
0
1254
1247
23
Cosine
0.9238
-28.03
-28
0.7936
0
1189
1279
19
Cosine
0.7936
57.021
57
0.7023
0
1189
1158
19
Cosine
0.7023
-14.015
-14
0.8524
0
1189
1206
19
Cosine
0.8524
-162.052
-162
0.9419
0
49
50
126
Cosine
0.9419
-11.03
-11
0.9499
0
443
158
164
Cosine
0.9499
-14.016
-14
0.9446
0
319
290
7
Cosine
0.9446
-162.053
-162
0.9569
0
61
60
30
Cosine
0.9569
-342.116
-342
0.9628
0
61
63
30
Cosine
0.9628
342.116
342
0.8599
0
191
147
312
Cosine
0.8599
0.984
0
0.9155
0
191
198
312
Cosine
0.9155
-0.0
0
0.938
0
282
401
7
Cosine
0.938
-48.0
-48
0.9494
0
282
455
7
Cosine
0.9494
-14.016
-14
0.9762
0
282
505
7
Cosine
0.9762
-42.047
-42
0.9543
0
295
617
40
Cosine
0.9543
195.056
195
0.9168
0
116
115
177
Cosine
0.9168
30.011
30
0.9448
0
842
837
48
Cosine
0.9448
15.995
15
0.9085
0
638
434
27
Cosine
0.9085
18.01
18
0.8427
0
638
310
27
Cosine
0.8427
-1.012
-1
0.7846
0
1368
1380
87
Cosine
0.7846
140.037
140
0.8648
0
516
517
14
Cosine
0.8648
-16.031
-16
0.9338
0
546
668
102
Cosine
0.9338
-45.988
-45
0.9084
0
568
776
224
Cosine
0.9084
-14.016
-14
0.9039
0
1074
1158
19
Cosine
0.9039
162.053
162
0.7779
0
40
37
246
Cosine
0.7779
-16.068
-16
0.8627
0
1512
1376
9
Cosine
0.8627
25.979
25
0.8302
0
1512
1435
9
Cosine
0.8302
-144.555
-144
0.7579
0
626
622
14
Cosine
0.7579
-113.066
-113
0.8486
0
1100
839
119
Cosine
0.8486
0.024
0
0.71
0
391
419
14
Cosine
0.71
14.016
14
0.9215
0
810
877
34
Cosine
0.9215
15.995
15
0.8374
0
1055
1035
70
Cosine
0.8374
18.03
18
0.7101
0
991
985
143
Cosine
0.7101
17.027
17
0.9108
0
991
989
143
Cosine
0.9108
28.99
28
0.9544
0
468
245
7
Cosine
0.9544
-33.984
-33
0.9072
0
468
565
7
Cosine
0.9072
-71.037
-71
0.8978
0
468
505
7
Cosine
0.8978
-156.113
-156
0.8201
0
1071
1248
19
Cosine
0.8201
-128.083
-128
0.8515
0
1071
1249
19
Cosine
0.8515
-144.078
-144
0.8653
0
1071
1131
19
Cosine
0.8653
-84.093
-84
0.8155
0
1071
1206
19
Cosine
0.8155
-28.031
-28
0.9325
0
1449
1424
33
Cosine
0.9325
-16.031
-16
0.9278
0
1449
1391
33
Cosine
0.9278
30.011
30
0.8948
0
1449
1399
33
Cosine
0.8948
-2.016
-2
0.956
0
1449
1412
33
Cosine
0.956
12.0
12
0.9276
0
1449
1431
33
Cosine
0.9276
3.947
3
0.9735
0
1442
1420
53
Cosine
0.9735
15.997
15
0.8459
0
310
170
27
Cosine
0.8459
-15.977
-15
0.9136
0
1133
1155
127
Cosine
0.9136
33.984
33
0.9126
0
1225
1215
101
Cosine
0.9126
-40.031
-40
0.8983
0
1431
1424
33
Cosine
0.8983
-14.016
-14
0.9514
0
1431
1412
33
Cosine
0.9514
18.011
18
0.8964
0
1431
1399
33
Cosine
0.8964
-28.031
-28
0.9342
0
1431
1391
33
Cosine
0.9342
-72.058
-72
0.878
0
1453
1518
63
Cosine
0.878
-44.026
-44
0.8962
0
1453
1486
63
Cosine
0.8962
-11.039
-11
0.9418
0
772
1138
150
Cosine
0.9418
1.004
1
0.8366
0
989
985
143
Cosine
0.8366
0.501
0
0.8428
0
930
927
43
Cosine
0.8428
-48.0
-48
0.9505
0
401
455
7
Cosine
0.9505
-14.016
-14
0.9641
0
401
505
7
Cosine
0.9641
-27.521
-27
0.7174
0
419
622
14
Cosine
0.7174
-12.0
-12
0.7334
0
959
903
13
Cosine
0.7334
2.014
2
0.9549
0
959
949
13
Cosine
0.9549
23.997
23
0.7537
0
959
951
13
Cosine
0.7537
-14.016
-14
0.9291
0
959
931
13
Cosine
0.9291
-84.094
-84
0.8913
0
1272
1038
23
Cosine
0.8913
-27.991
-27
0.8933
0
104
99
71
Cosine
0.8933
-42.047
-42
0.919
0
505
245
7
Cosine
0.919
-14.016
-14
0.7847
0
1275
1222
19
Cosine
0.7847
-95.095
-95
0.7722
0
1275
1230
19
Cosine
0.7722
-42.047
-42
0.8861
0
1275
1206
19
Cosine
0.8861
-14.016
-14
0.9452
0
1073
1107
23
Cosine
0.9452
497.168
497
0.8228
0
704
697
174
Cosine
0.8228
-14.017
-14
0.9184
0
1317
1304
134
Cosine
0.9184
-28.032
-28
0.9374
0
228
644
337
Cosine
0.9374
-14.016
-14
0.9624
0
775
803
30
Cosine
0.9624
-104.036
-104
0.9639
0
775
1002
30
Cosine
0.9639
-122.261
-122
0.9669
0
775
1052
30
Cosine
0.9669
58.042
58
0.893
0
1399
1424
33
Cosine
0.893
32.026
32
0.8999
0
1399
1412
33
Cosine
0.8999
-46.042
-46
0.8755
0
1399
1391
33
Cosine
0.8755
0.001
0
0.8727
0
1159
1174
19
Cosine
0.8727
-14.015
-14
0.8202
0
1159
1252
19
Cosine
0.8202
13.979
13
0.7631
0
1501
1380
87
Cosine
0.7631
41.026
41
0.9251
0
918
928
214
Cosine
0.9251
18.011
18
0.8883
0
869
982
113
Cosine
0.8883
-45.058
-45
0.9369
0
669
678
38
Cosine
0.9369
-14.016
-14
0.9465
0
669
473
38
Cosine
0.9465
32.026
32
0.8432
0
669
670
38
Cosine
0.8432
635.418
635
0.7527
0
1347
1335
111
Cosine
0.7527
14.016
14
0.9009
0
1347
1341
111
Cosine
0.9009
-634.415
-634
0.8481
0
1347
1352
111
Cosine
0.8481
44.98
44
0.7766
0
1347
1397
111
Cosine
0.7766
-76.031
-76
0.908
0
366
70
40
Cosine
0.908
0.0
0
0.9862
0
1521
1534
168
Cosine
0.9862
-49.956
-49
0.9235
0
796
863
34
Cosine
0.9235
-14.015
-14
0.9279
0
949
903
13
Cosine
0.9279
-16.03
-16
0.7277
0
949
931
13
Cosine
0.7277
-21.983
-21
0.7779
0
949
951
13
Cosine
0.7779
19.945
19
0.8973
0
827
877
34
Cosine
0.8973
-32.958
-32
0.8981
0
827
800
34
Cosine
0.8981
-33.961
-33
0.9171
0
827
798
34
Cosine
0.9171
-2.016
-2
0.8949
0
1063
1110
83
Cosine
0.8949
241.063
241
0.9123
0
123
109
76
Cosine
0.9123
163.085
163
0.8263
0
831
858
62
Cosine
0.8263
-80.026
-80
0.8608
0
813
536
115
Cosine
0.8608
4.021
4
0.8523
0
884
891
13
Cosine
0.8523
-2.167
-2
0.9785
0
1141
926
30
Cosine
0.9785
28.03
28
0.888
0
1249
1248
19
Cosine
0.888
15.996
15
0.9077
0
1249
1131
19
Cosine
0.9077
-14.015
-14
0.8458
0
1249
1162
19
Cosine
0.8458
71.037
71
0.8652
0
569
653
361
Cosine
0.8652
195.056
195
0.9675
0
114
110
76
Cosine
0.9675
-50.016
-50
0.8971
0
579
313
50
Cosine
0.8971
-33.984
-33
0.9303
0
579
361
50
Cosine
0.9303
-33.984
-33
0.928
0
579
511
50
Cosine
0.928
-16.03
-16
0.8309
0
979
892
89
Cosine
0.8309
13.98
13
0.8635
0
979
845
89
Cosine
0.8635
-4.518
-4
0.7867
0
622
517
14
Cosine
0.7867
-13.979
-13
0.8772
0
79
71
94
Cosine
0.8772
-195.056
-195
0.8621
0
96
105
173
Cosine
0.8621
52.069
52
0.765
0
1224
1218
19
Cosine
0.765
-128.084
-128
0.8492
0
1224
1238
19
Cosine
0.8492
-14.017
-14
0.8182
0
1103
1162
19
Cosine
0.8182
-14.015
-14
0.8466
0
1279
1206
19
Cosine
0.8466
18.015
18
0.8935
0
136
129
94
Cosine
0.8935
-31.972
-31
0.8695
0
266
292
61
Cosine
0.8695
0.054
0
0.9008
0
199
161
131
Cosine
0.9008
30.011
30
0.9062
0
846
858
62
Cosine
0.9062
-1.003
-1
0.9452
0
800
798
34
Cosine
0.9452
-76.015
-76
0.7462
0
1238
1218
19
Cosine
0.7462
-43.99
-43
0.7905
0
1238
1231
19
Cosine
0.7905
88.052
88
0.8965
0
1247
1244
23
Cosine
0.8965
-16.031
-16
0.9363
0
511
313
50
Cosine
0.9363
-0.0
0
0.9469
0
511
361
50
Cosine
0.9469
-242.126
-242
0.9139
0
511
512
50
Cosine
0.9139
-1.04
-1
0.9622
0
1495
1420
53
Cosine
0.9622
-165.064
-165
0.7035
0
1129
1000
42
Cosine
0.7035
2.015
2
0.9363
0
931
903
13
Cosine
0.9363
-38.012
-38
0.7346
0
931
951
13
Cosine
0.7346
26.015
26
0.9125
0
1412
1424
33
Cosine
0.9125
-14.015
-14
0.9292
0
1412
1391
33
Cosine
0.9292
-129.958
-129
0.8405
0
25
23
75
Cosine
0.8405
-258.199
-258
0.8345
0
1325
1015
39
Cosine
0.8345
24.0
24
0.9685
0
1325
1366
39
Cosine
0.9685
-4.031
-4
0.9853
0
1325
1390
39
Cosine
0.9853
88.052
88
0.8947
0
1127
1130
23
Cosine
0.8947
88.052
88
0.8853
0
1127
1117
23
Cosine
0.8853
176.105
176
0.8558
0
1127
1107
23
Cosine
0.8558
88.053
88
0.9168
0
1107
1117
23
Cosine
0.9168
132.078
132
0.8602
0
1038
1056
23
Cosine
0.8602
-262.23
-262
0.8343
0
1390
1015
39
Cosine
0.8343
-28.031
-28
0.9607
0
1390
1366
39
Cosine
0.9607
12.0
12
0.8913
0
1391
1424
33
Cosine
0.8913
58.996
58
0.7108
0
1341
1397
111
Cosine
0.7108
-620.399
-620
0.7537
0
1341
1352
111
Cosine
0.7537
-82.141
-82
0.8778
0
16
415
75
Cosine
0.8778
72.954
72
0.762
0
16
20
75
Cosine
0.762
-14.016
-14
0.8975
0
798
877
34
Cosine
0.8975
-28.031
-28
0.7796
0
1130
1056
23
Cosine
0.7796
176.105
176
0.7989
0
1130
1117
23
Cosine
0.7989
-2.294
-2
0.9658
0
817
1525
30
Cosine
0.9658
2.896
2
0.9698
0
817
1083
30
Cosine
0.9698
1.979
1
0.8651
0
71
129
94
Cosine
0.8651
-14.016
-14
0.9523
0
1091
1120
75
Cosine
0.9523
-40.031
-40
0.792
0
1406
1376
9
Cosine
0.792
-2.016
-2
0.8691
0
1406
1435
9
Cosine
0.8691
-15.995
-15
0.949
0
118
158
164
Cosine
0.949
-37.959
-37
0.805
0
1132
1155
127
Cosine
0.805
27.995
27
0.847
0
317
299
317
Cosine
0.847
-0.034
0
0.9827
0
856
853
313
Cosine
0.9827
-156.078
-156
0.9516
0
1184
1267
15
Cosine
0.9516
190.083
190
0.9521
0
1184
1144
15
Cosine
0.9521
190.083
190
0.9591
0
1184
1166
15
Cosine
0.9591
23.849
23
0.9674
0
926
1052
30
Cosine
0.9674
30.011
30
0.8511
0
892
845
89
Cosine
0.8511
86.996
86
0.9344
0
290
565
7
Cosine
0.9344
-64.051
-64
0.7496
0
1230
1218
19
Cosine
0.7496
32.026
32
0.8141
0
1230
1231
19
Cosine
0.8141
-17.027
-17
0.8809
0
81
68
200
Cosine
0.8809
-42.047
-42
0.9109
0
773
734
129
Cosine
0.9109
18.01
18
0.9058
0
203
183
10
Cosine
0.9058
-155.094
-155
0.7946
0
415
20
75
Cosine
0.7946
-66.163
-66
0.7913
0
415
23
75
Cosine
0.7913
34.006
34
0.9519
0
1166
1267
15
Cosine
0.9519
-0.001
0
0.9733
0
1166
1144
15
Cosine
0.9733
-150.199
-150
0.8597
0
1109
1310
18
Cosine
0.8597
18.01
18
0.873
0
166
160
247
Cosine
0.873
680.398
680
0.7387
0
1335
1397
111
Cosine
0.7387
1.003
1
0.8412
0
1335
1352
111
Cosine
0.8412
-3.008
-3
0.7643
0
1162
1174
19
Cosine
0.7643
-42.047
-42
0.9119
0
1545
1526
116
Cosine
0.9119
-2.015
-2
0.9528
0
1436
1448
106
Cosine
0.9528
-14.016
-14
0.8813
0
237
139
10
Cosine
0.8813
-33.984
-33
0.8431
0
237
316
10
Cosine
0.8431
3.995
3
0.9651
0
1138
1278
150
Cosine
0.9651
-33.984
-33
0.9031
0
399
358
292
Cosine
0.9031
-14.016
-14
0.9275
0
471
678
38
Cosine
0.9275
45.058
45
0.9263
0
471
473
38
Cosine
0.9263
-242.127
-242
0.8995
0
512
361
50
Cosine
0.8995
-26.015
-26
0.81
0
1237
1147
19
Cosine
0.81
-42.985
-42
0.7253
0
1237
1209
19
Cosine
0.7253
-32.025
-32
0.8752
0
1218
1231
19
Cosine
0.8752
-1.003
-1
0.9653
0
1068
1067
12
Cosine
0.9653
-14.017
-14
0.8649
0
1252
1174
19
Cosine
0.8649
-28.032
-28
0.9713
0
1057
1112
30
Cosine
0.9713
44.026
44
0.976
0
1057
1052
30
Cosine
0.976
-39.995
-39
0.9708
0
1057
1114
30
Cosine
0.9708
-114.235
-114
0.971
0
1057
479
30
Cosine
0.971
18.01
18
0.8525
0
473
670
38
Cosine
0.8525
-0.001
0
0.9642
0
1444
1472
352
Cosine
0.9642
-140.214
-140
0.966
0
683
1114
30
Cosine
0.966
-10.914
-10
0.8772
0
262
536
115
Cosine
0.8772
-16.031
-16
0.8577
0
262
365
115
Cosine
0.8577
1.979
1
0.9525
0
650
769
74
Cosine
0.9525
195.056
195
0.8732
0
117
108
243
Cosine
0.8732
-132.043
-132
0.8757
0
829
858
62
Cosine
0.8757
-234.199
-234
0.8295
0
1015
1366
39
Cosine
0.8295
-11.963
-11
0.9687
0
1114
1112
30
Cosine
0.9687
4.031
4
0.9709
0
1114
1052
30
Cosine
0.9709
-18.01
-18
0.7899
0
1124
1120
75
Cosine
0.7899
-32.023
-32
0.8472
0
292
309
61
Cosine
0.8472
-31.972
-31
0.8604
0
292
304
61
Cosine
0.8604
226.095
226
0.9282
0
308
313
50
Cosine
0.9282
-42.047
-42
0.9158
0
777
522
40
Cosine
0.9158
-43.989
-43
0.7724
0
1222
1248
19
Cosine
0.7724
-28.031
-28
0.8918
0
1222
1206
19
Cosine
0.8918
-0.051
0
0.9806
0
309
304
61
Cosine
0.9806
-16.031
-16
0.9081
0
313
361
50
Cosine
0.9081
-28.032
-28
0.9157
0
1518
1486
63
Cosine
0.9157
15.995
15
0.9747
0
1112
1052
30
Cosine
0.9747
-48.0
-48
0.8651
0
316
139
10
Cosine
0.8651
679.395
679
0.8206
0
1397
1352
111
Cosine
0.8206
-35.997
-35
0.7749
0
903
951
13
Cosine
0.7749
34.005
34
0.9441
0
1144
1267
15
Cosine
0.9441
-252.245
-252
0.9605
0
1003
1525
30
Cosine
0.9605
-28.03
-28
0.8246
0
1248
1147
19
Cosine
0.8246
-12.035
-12
0.8109
0
1248
1131
19
Cosine
0.8109
15.995
15
0.8147
0
1147
1131
19
Cosine
0.8147