BEGIN IONS
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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

BEGIN IONS
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1098.673583984375	19.0
1099.62451171875	19.0
END IONS

BEGIN IONS
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724071
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END IONS

BEGIN IONS
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1097.6544189453125	17.0
1097.8282470703125	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724073
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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657.6102294921875	20.0
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773.0679321289062	15.0
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774.6004028320312	6514.21484375
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776.0723876953125	32.0
776.6193237304688	42.0
777.1454467773438	19.0
925.487060546875	23.0
974.619384765625	22.0
1055.2886962890625	24.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724074
PEPMASS=772.588
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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ORGANISM=GNPS-IOBA-NHC
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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1078.7811279296875	19.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724075
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COLLISION_ENERGY=20.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724076
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SOURCE_INSTRUMENT=LC-ESI-qTof
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PI=N Auzeil
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USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724076
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724077
PEPMASS=780.555
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PC(16:0_20:5) - (2-{[3-(hexadecanoyloxy)-2-[icosa-5.8.11.14.17-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724077
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724077
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724083
PEPMASS=746.604
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-IOBA-NHC
NAME=PC-O(18:0_16:1) - (2-{[3-[hexadec-9-en-1-yloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
INCHI=InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,41H,6-16,18,20-40H2,1-5H3/b19-17-/t41-/m1/s1
INCHIAUX=SVSLBZPEDBYFGG-HVLKLTLRSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724083
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724083
SCANS=1556
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724084
PEPMASS=774.636
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PC(O-18:1_18:0) - trimethyl(2-{[3-[octadec-9-en-1-yloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
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SPECTRUMID=CCMSLIB00005724084
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1096.8140869140625	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724085
PEPMASS=772.623
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PC-O(18:1_18:1) - trimethyl(2-{[2-[octadec-11-enoyloxy]-3-[octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)azanium [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724085
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724085
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BEGIN IONS
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END IONS

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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724092
PEPMASS=744.558
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PE(18:1_18:1) - (2-aminoethoxy)[2-[octadec-11-enoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC
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INCHIAUX=ZTSRQLQWGSDQGP-RTJYTIBZSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724092
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724092
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1095.9573974609375	14.0
1098.9486083984375	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724093
PEPMASS=742.528
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724093
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724093
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724094
PEPMASS=740.523
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PE(16:0_20:4) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acid [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724094
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724094
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END IONS

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BEGIN IONS
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BEGIN IONS
TITLE=CCMSLIB00005724098
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724099
PEPMASS=811.67
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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ORGANISM=GNPS-IOBA-NHC
NAME=SM(d18:0_24:3) - 3-hydroxy-2-(tetracosa-11.13.15-trienamido)octadecyl (2-(trimethylammonio)ethyl) phosphate [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724099
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724099
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724119
PEPMASS=792.708
CHARGE=1
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COLLISION_ENERGY=20.0
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NAME=TG(14:0_16:1_16:1) - 1-[hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl-hexadec-9-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724124
PEPMASS=820.739
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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NAME=TG(16:0_16:1_16:1) - 1-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propan-2-yl-hexadec-9-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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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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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724130
PEPMASS=848.773
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-IOBA-NHC
NAME=TG(16:0_16:1_18:1) - 2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (11Z)-octadec-11-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC
INCHI=InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h19,21-22,24,50H,4-18,20,23,25-49H2,1-3H3/b22-19-,24-21-/t50-/m0/s1
INCHIAUX=ALDDTVYQXQKCAC-OXFCDKDHSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724130
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724130
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724131
PEPMASS=846.755
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(16:1_16:1_18:1) - 2.3-bis[(9Z)-hexadec-9-enoyloxy]propyl (11Z)-octadec-11-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724131
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724131
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724132
PEPMASS=864.8
CHARGE=1
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COLLISION_ENERGY=20.0
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FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(16:0_16:0_19:1) - 3-(nonadec-10-enoyloxy)propane-1.2-diyl dipalmitate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724133
PEPMASS=862.786
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(16:0_17:1_18:1) - 2-((heptadec-9-enoyl)oxy)-3-(palmitoyloxy)propyl octadec-11-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724133
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724133
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724135
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1099.2232666015625	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724137
PEPMASS=876.805
CHARGE=1
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COLLISION_ENERGY=20.0
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PI=N Auzeil
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724138
PEPMASS=874.787
CHARGE=1
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724141
PEPMASS=888.801
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(17:1/18:1/18:1) - 1-((heptadec-8-enoyl)oxy)-3-(oleoyloxy)propan-2-yl octadec-8-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC(CCCCCC/C=C/CCCCCCCCC)=O)COC(CCCCCC/C=C/CCCCCCCC)=O
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724141
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724141
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956.2964477539062	41.0
1019.9472045898438	28.0
1048.52880859375	19.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724142
PEPMASS=904.836
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(18:0_18:1_18:1) - 2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl octadec-11-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724142
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724142
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724144
PEPMASS=900.802
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_1_308.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(18:1_18:1_18:2) - 3-[octadec-11-enoyloxy]-2-[octadec-9-enoyloxy]propyl octadeca-9.12-dienoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724147
PEPMASS=928.837
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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NAME=TG(18:1_18:1_20:2) - 2.3-bis[octadec-9-enoyloxy]propyl icosa-11.14-dienoate [M+NH3+H]+
PI=N Auzeil
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SPECTRUMID=CCMSLIB00005724147
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724148
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CHARGE=1
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COLLISION_ENERGY=20.0
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1080.5596923828125	15.0
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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990.0913696289062	24.0
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1047.995361328125	24.0
1063.1995849609375	25.0
1090.4017333984375	21.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724153
PEPMASS=984.898
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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NAME=TG(18:1_18:1_24:2) - 3-((tetracosa-13.16-dienoyl)oxy)propane-1.2-diyl dioleate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724153
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724100
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COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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PI=N Auzeil
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724101
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724102
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PI=N Auzeil
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724103
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724136
PEPMASS=878.818
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_3_310.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(16:0_18:0_18:1) - 3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl octadec-9-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724136
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724106
PEPMASS=810.603
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/mix_DDA_ESI+_301.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-IOBA-NHC
NAME=PC(18:0_20:4) - (2-{[2-[icosa-5.8.11.14-tetraenoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium [M+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724107
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724108
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CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724143
PEPMASS=902.817
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
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SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=TG(18:1_18:1_18:1) - 2.3-bis[octadec-9-enoyloxy]propyl octadec-11-enoate [M+NH3+H]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
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SPECTRUMID=CCMSLIB00005724143
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1021.513427734375	19.0
1028.4849853515625	16.0
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1095.3260498046875	16.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724109
PEPMASS=835.667
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724109
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724109
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724115
PEPMASS=833.652
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_BAK_20M_DDA_ESI+_2_315.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=SM(d18:0_24:3) - 3-hydroxy-2-(tetracosa-11.13.15-trienamido)octadecyl (2-(trimethylammonio)ethyl) phosphate [M+Na]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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SPECTRUMID=CCMSLIB00005724115
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724115
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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1073.5687255859375	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724111
PEPMASS=752.519
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_2_309.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PC(16:1_16:1) - (2-{[2.3-bis[hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium [M+Na]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724111
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724111
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724112
PEPMASS=802.536
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI+_2_309.mzXML
SEQ=*..*
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ORGANISM=GNPS-IOBA-NHC
NAME=PC(16:0_20:5) - (2-{[3-(hexadecanoyloxy)-2-[icosa-5.8.11.14.17-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium [M+Na]+
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
INCHI=InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
INCHIAUX=KLTHQSWIRFFBRI-CPFPVJFHSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724112
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724112
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SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724203
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724203
SCANS=1811
143.04075622558594	14.0
170.46408081054688	15.0
386.9814453125	17.0
476.8433532714844	19.0
641.632568359375	27.0
658.9113159179688	18.0
689.6759033203125	15.0
700.8475341796875	23.0
836.7208862304688	15.0
837.6851196289062	21.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724242
PEPMASS=777.561
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/mix_DDA_ESI-_304.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PG(18:0_18:0) - [2.3-bis(octadecanoyloxy)propoxy][2.3-dihydroxypropoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
INCHI=InChI=1S/C42H83O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,47,48)/t39-,40+/m0/s1
INCHIAUX=FVJZSBGHRPJMMA-IOLBBIBUSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724242
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724242
SCANS=1493
113.02102661132812	34.0
131.030029296875	15.0
140.37405395507812	32.0
143.035888671875	14.0
152.98507690429688	27.775115966796875
152.9965057373047	134.9970703125
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250.9623260498047	15.0
255.25914001464844	26.0
282.2477722167969	35.0
283.26318359375	4548.8515625
284.267578125	502.914794921875
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389.2369689941406	18.0
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420.25225830078125	36.595489501953125
420.2734680175781	44.369537353515625
437.2535095214844	31.0
445.3022766113281	21.0
468.75262451171875	23.0
471.5418701171875	36.0
493.295166015625	351.580078125
494.2855224609375	36.0
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511.26904296875	42.0
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512.3109741210938	22.0
545.8589477539062	21.0
562.5292358398438	176.0
566.857421875	14.0
578.3605346679688	20.0
695.3425903320312	13.0
709.5775756835938	20.0
715.5510864257812	19.348892211914062
715.5860595703125	50.651123046875
716.55224609375	185.69140625
716.57568359375	484.03173828125
716.6378784179688	18.058990478515625
717.5654907226562	309.9697265625
717.6273193359375	29.0
718.5518188476562	19.0
718.5942993164062	14.0
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732.5130615234375	15.0
742.5809326171875	1122.2734375
742.639892578125	61.9033203125
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763.480224609375	15.0
775.5374145507812	15.0
775.74267578125	27.0
776.6243896484375	19.0
777.4655151367188	13.0
777.5659790039062	4903.4765625
777.6364135742188	45.28076171875
778.4783935546875	15.0
778.5617065429688	2756.029296875
779.5942993164062	22.0
789.5927734375	19.0
790.5906982421875	21.0
794.3269653320312	19.0
806.5845947265625	41.0
807.5580444335938	19.0
839.5386962890625	18.0
840.5515747070312	15.0
844.9183959960938	29.0
890.634765625	15.0
893.687744140625	19.0
896.3662719726562	35.0
1006.79296875	15.0
1028.736328125	23.0
1029.0736083984375	13.0
1054.4056396484375	23.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724243
PEPMASS=775.546
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/mix_DDA_ESI-_304.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PG(18:0_18:1) - [2.3-dihydroxypropoxy][2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1
INCHIAUX=ZEFGRNLJASLRBZ-QIJYXWHJSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724243
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724243
SCANS=1402
119.06190490722656	17.0
130.53729248046875	14.0
135.75808715820312	14.0
150.30650329589844	12.7523193359375
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152.99342346191406	659.64013671875
153.99681091308594	17.0
166.7442626953125	15.0
171.00643920898438	224.9576416015625
172.27703857421875	36.0
204.415283203125	42.0
204.91065979003906	21.0
209.02444458007812	76.0
213.24676513671875	12.731056213378906
213.45184326171875	20.880752563476562
227.0358428955078	79.0
253.00831604003906	25.0
255.03199768066406	14.0
278.1812438964844	20.0
281.144287109375	20.0
281.1787414550781	23.0
281.2478332519531	12794.234375
281.2897033691406	22.930435180664062
281.3209228515625	15.0
281.6495056152344	15.0
282.2134094238281	24.0
282.248291015625	1696.8095703125
283.2633056640625	6359.0
283.4795227050781	19.0
284.2665100097656	599.86328125
284.68731689453125	14.0
290.03411865234375	13.0
323.4742126464844	27.0
323.5514221191406	19.0
326.3399353027344	12.822311401367188
417.2286376953125	127.69964599609375
417.2508850097656	99.84698486328125
417.7354736328125	13.0
418.2435607910156	69.01422119140625
419.25067138671875	305.267822265625
419.27532958984375	191.797607421875
420.2311096191406	17.026397705078125
420.24658203125	66.70672607421875
420.27508544921875	43.4007568359375
429.220947265625	12.937980651855469
435.2646484375	22.0
438.2557067871094	23.0
453.35418701171875	17.0
487.685546875	16.0
491.25616455078125	103.5118408203125
491.2846374511719	298.327392578125
491.32427978515625	28.327651977539062
492.28338623046875	37.0
493.270263671875	112.04315185546875
493.2954406738281	376.391845703125
494.2987365722656	61.0
509.28558349609375	188.1944580078125
509.31805419921875	42.871673583984375
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511.30023193359375	675.73193359375
511.9906311035156	19.0
512.3096313476562	112.0
571.1495361328125	13.0
584.525390625	17.0
588.4042358398438	23.0
701.493408203125	24.0
761.4801025390625	14.0
773.2554931640625	15.0
774.5218505859375	27.0
775.548095703125	19804.84375
775.6338500976562	102.80572509765625
775.670654296875	17.0
775.8528442382812	28.0
775.9134521484375	36.0
776.0474243164062	15.0
776.5533447265625	7047.98828125
776.956298828125	28.0
777.5198974609375	15.0
777.6630859375	15.0
779.3880004882812	15.0
782.4265747070312	15.0
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930.5254516601562	20.0
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1039.4732666015625	14.0
1046.7017822265625	23.0
1078.5142822265625	23.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724197
PEPMASS=797.648
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=(2-{[3-hydroxy-2-tetracosanamidooctadeca-4.14-dien-1-yl phosphono]oxy}ethyl)trimethylazanium [M-CH3]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Université de Paris
SMILES=[H][C@@](COP([O-])(=O)OCC[N+](C)(C)C)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCC\C=C/CCC
INCHI=InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h11,13,38,40,45-46,50H,6-10,12,14-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b13-11-,40-38+/t45-,46+/m0/s1
INCHIAUX=DACOGJMBYLZYDH-GXJPFUDISA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=4
SPECTRUMID=CCMSLIB00005724197
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724197
SCANS=1690
123.0316390991211	23.0
168.03382873535156	15.724136352539062
169.0345001220703	15.0
196.04351806640625	18.0
214.03543090820312	18.0
253.19161987304688	18.101638793945312
253.20272827148438	14.643547058105469
279.24261474609375	83.0
281.2461242675781	433.130126953125
281.2603454589844	216.8699951171875
282.2469482421875	164.0
283.2511291503906	21.332656860351562
283.2689208984375	101.6673583984375
309.28448486328125	47.0
315.1217041015625	15.0
333.2688903808594	28.904953002929688
333.28680419921875	78.09503173828125
334.26654052734375	15.0
334.2935791015625	76.0
447.3096923828125	15.0
464.3092956542969	61.0
464.3372497558594	18.0
611.432861328125	32.0
701.5652465820312	26.0
714.5077514648438	16.0
714.5870361328125	19.0
716.542236328125	27.0
728.5116577148438	23.528656005859375
728.5631103515625	343.714111328125
729.5404663085938	36.71185302734375
729.575927734375	233.2880859375
729.6660766601562	22.0
730.5525512695312	44.15997314453125
730.5780029296875	16.0
796.517822265625	57.0
796.5548706054688	20.364395141601562
796.591796875	13.154037475585938
797.5363159179688	88.49005126953125
797.5982055664062	165.039794921875
797.6502075195312	742.1943359375
798.5187377929688	35.919464111328125
798.5748291015625	43.34765625
798.6610107421875	298.849853515625
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724198
PEPMASS=538.511
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=Cer(d18:0/16:0) - N-[1.3-dihydroxyoctadecan-2-yl]hexadecanamide [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC
INCHI=InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
INCHIAUX=GCGTXOVNNFGTPQ-JHOUSYSJSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724198
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724198
SCANS=1516
225.22897338867188	15.0
226.23097229003906	17.0
236.2110137939453	20.0
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505.4464111328125	27.717849731445312
505.48284912109375	51.72027587890625
505.5048828125	17.347702026367188
506.4859313964844	42.0
507.4704284667969	60.535125732421875
507.4987487792969	100.46490478515625
508.47906494140625	29.493850708007812
508.4984436035156	57.84283447265625
509.4855651855469	13.0
537.5071411132812	1183.6259765625
538.5112915039062	539.7041015625
538.5402221679688	86.1221923828125
539.5259399414062	86.0
621.2936401367188	13.0
883.4414672851562	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724200
PEPMASS=698.556
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=HexCer(d16:1_18:0) - N-(3-hydroxy-1-((3.4.5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexadec-4-en-2-yl)stearamide [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(N[C@H]([C@@H](/C=C/CCCCCCCCCCC)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O
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INCHIAUX=CBEFWCLRPKIYCH-NNTBDIJYSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724200
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724200
SCANS=1404
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536.5057373046875	532.99853515625
536.5518798828125	24.19488525390625
536.5864868164062	13.0
537.4827270507812	60.32440185546875
537.510009765625	105.67559814453125
697.4903564453125	37.0
698.5504760742188	520.7744140625
698.5933227539062	44.650238037109375
699.4830932617188	38.0
699.5289916992188	57.316497802734375
699.5690307617188	151.373046875
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724205
PEPMASS=716.522
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(16:0_18:1) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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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
TITLE=CCMSLIB00005724212
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,41H,3-16,20,22-40,44H2,1-2H3,(H,47,48)/b19-17-,21-18-/t41-/m1/s1
INCHIAUX=UITCASPZWUAJBW-HLHBCVTMSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724212
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724212
SCANS=1626
108.14494323730469	33.0
134.68551635742188	15.0
139.9356689453125	44.0
140.01210021972656	15.0
159.97711181640625	12.735244750976562
162.71253967285156	15.0
166.0346221923828	15.0
184.10035705566406	17.0
196.04061889648438	15.943992614746094
223.5749053955078	16.0
251.17771911621094	12.795310974121094
253.2174072265625	427.0
253.25851440429688	15.0
254.22447204589844	35.0
267.22991943359375	26.0
281.2485656738281	5470.09375
281.9380798339844	13.0
282.25018310546875	727.7294921875
284.2777099609375	19.0
305.23675537109375	15.875991821289062
306.2369079589844	15.0
307.2701721191406	17.0
309.1806945800781	27.0
309.2786865234375	4188.34765625
310.27337646484375	371.681396484375
310.29168701171875	453.14404296875
311.1793212890625	30.0
335.2919616699219	14.0
336.2957458496094	26.0
337.30908203125	178.7059326171875
362.5705261230469	14.0
364.50067138671875	20.0
371.1797790527344	15.0
392.29931640625	15.0
395.3166809082031	34.0
397.5633544921875	12.892555236816406
402.8045959472656	14.0
404.25439453125	33.0
418.2626647949219	19.0
432.2511901855469	15.0
445.2733154296875	16.0
446.2826843261719	15.0
460.275390625	67.8856201171875
461.2717590332031	17.660858154296875
461.2909851074219	12.684097290039062
478.0763854980469	14.0
478.29803466796875	245.2166748046875
479.28076171875	21.453201293945312
479.3024597167969	70.0380859375
488.3225402832031	63.0
489.31695556640625	28.4951171875
489.3308410644531	18.290634155273438
499.3536376953125	22.0
506.30926513671875	112.089599609375
506.33056640625	301.123779296875
507.3260498046875	29.0
507.354248046875	24.0
533.3724975585938	24.0
534.3527221679688	27.0
538.2598266601562	17.0
689.509521484375	16.0
709.4119873046875	15.0
744.5344848632812	25.0
745.538330078125	24.0
747.5507202148438	19.0
769.5582275390625	57.0
769.6420288085938	15.0
770.3079223632812	19.0
770.5701904296875	5360.328125
770.6710815429688	12.162979125976562
771.4768676757812	28.944168090820312
771.5416259765625	432.72509765625
771.5736083984375	1472.1640625
771.7303466796875	22.0
772.5123291015625	15.0
772.5466918945312	21.228775024414062
772.571044921875	15.435897827148438
778.1572875976562	14.0
812.574462890625	19.0
829.5576171875	17.0
886.5471801757812	18.0
912.6072387695312	22.0
929.6450805664062	39.0
956.720703125	24.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724218
PEPMASS=800.62
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(22:0_18:1) - (2-aminoethoxy)[3-(docosanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1
INCHIAUX=FWHVZNCIAUKGET-UPLWMSSDSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724218
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724218
SCANS=1809
129.9829559326172	17.0
140.00601196289062	55.0
196.03712463378906	34.0
197.04443359375	18.0
253.2183074951172	1379.97265625
254.2171173095703	108.0
255.50039672851562	14.0
269.22955322265625	42.0
277.2160949707031	15.899093627929688
281.2499694824219	1694.17578125
282.24688720703125	190.0
283.2569580078125	8.098396301269531
283.2697448730469	27.006393432617188
302.1338806152344	32.0
328.3430480957031	16.0
331.4681701660156	20.954788208007812
337.31256103515625	44.0
339.32440185546875	606.36669921875
340.3284606933594	29.0
349.29437255859375	13.0
353.32269287109375	15.0
367.3559265136719	293.0
368.3659973144531	18.0
432.25616455078125	14.0
460.277099609375	15.553108215332031
460.2965087890625	19.446884155273438
461.39068603515625	26.0
464.3276672363281	20.0
478.9881896972656	15.0
479.2885437011719	14.0
518.34033203125	15.0
518.3778686523438	14.0
536.352294921875	42.60565185546875
536.373291015625	83.271240234375
537.3594970703125	35.556671142578125
537.3800659179688	36.530059814453125
546.3567504882812	14.0
564.3917846679688	71.13720703125
564.4180297851562	104.86279296875
701.531982421875	19.0
798.9682006835938	15.0
799.6700439453125	31.0
800.6166381835938	2498.701171875
801.0761108398438	15.0
801.6177978515625	919.6875
801.680419921875	51.312530517578125
845.644287109375	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724221
PEPMASS=672.495
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-16:1_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((hexadec-7-en-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCC/C=C/CCCCCCCC
INCHI=InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,36H,3-13,15,18,20-35,38H2,1-2H3,(H,40,41)/b16-14-,19-17+/t36-/m1/s1
INCHIAUX=QYCOGUIGAOQMOD-TXIKYQMTSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724221
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724221
SCANS=1465
109.38307189941406	20.75506591796875
112.10982513427734	21.963272094726562
113.06051635742188	35.0
121.99797058105469	14.0
128.12139892578125	30.0
137.00482177734375	18.0
140.01402282714844	117.0
144.43643188476562	12.822418212890625
150.01133728027344	16.928802490234375
154.0860595703125	17.0
159.80276489257812	21.0
163.0315704345703	15.0
163.44497680664062	17.0
168.2680206298828	15.0
179.0300750732422	34.0
180.1427764892578	25.0
189.5513458251953	20.0
193.43161010742188	14.0
196.0390167236328	60.0
197.0364227294922	18.0
213.67007446289062	20.0
223.1098175048828	14.77276611328125
227.19598388671875	227.3863525390625
227.2088623046875	175.1629638671875
228.19508361816406	30.502212524414062
228.206787109375	13.497787475585938
239.2328338623047	101.0
248.77352905273438	15.0
252.23849487304688	18.0
253.21664428710938	16410.03125
253.26548767089844	15.0
253.60169982910156	33.0
253.96368408203125	15.0
254.05691528320312	15.0
254.21737670898438	1720.2607421875
254.22808837890625	621.59912109375
254.2513885498047	14.431083679199219
255.23223876953125	175.899169921875
260.3121337890625	15.0
267.2338562011719	73.2393798828125
267.2486877441406	12.29071044921875
271.143310546875	22.0
281.23968505859375	380.449462890625
281.25372314453125	400.91259765625
282.2510070800781	64.0
283.25958251953125	19.0
309.2713317871094	18.0
318.7352294921875	15.0
375.23480224609375	66.0
376.224609375	16.0
379.4164123535156	17.0
390.228515625	27.829498291015625
390.24359130859375	41.778594970703125
391.2275695800781	42.0
393.245849609375	15.0
404.25872802734375	15.0
408.2435302734375	77.705078125
409.27850341796875	51.0
410.7926940917969	15.980728149414062
418.2605895996094	412.51025390625
419.2594909667969	61.991302490234375
419.28192138671875	92.35906982421875
422.2547912597656	17.0
426.83355712890625	15.0
432.2234191894531	19.0
436.2779541015625	1127.0400390625
436.6187744140625	20.0
436.7668762207031	19.0
437.26092529296875	24.43292236328125
437.2896728515625	193.5384521484375
444.2825927734375	56.0
455.1992492675781	12.938377380371094
455.696533203125	19.0
462.2724609375	22.0
462.32684326171875	17.0
537.2427978515625	14.0
573.8013916015625	15.0
591.5724487304688	17.0
650.919189453125	19.0
671.625244140625	20.0
672.4960327148438	6200.7578125
672.560546875	121.189697265625
672.7518920898438	16.0
673.3206176757812	18.0
673.3758544921875	15.0
673.492919921875	1491.55078125
673.5259399414062	648.580078125
675.9512939453125	24.0
702.4991455078125	17.0
702.8997192382812	22.0
703.5556030273438	16.0
705.8255004882812	16.0
713.4470825195312	13.0
746.5254516601562	14.0
752.6062622070312	27.0
776.4107666015625	15.0
813.5855102539062	15.0
815.5729370117188	13.0
815.8533935546875	17.0
816.6094360351562	28.0
818.5731811523438	17.0
827.3944091796875	15.0
832.5202026367188	18.0
840.6118774414062	14.0
891.5923461914062	23.0
904.4959106445312	19.0
1095.8175048828125	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724222
PEPMASS=700.523
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-18:1_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((octadec-7-en-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCC/C=C/CCCCCCCCCC
INCHI=InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,19,21,38H,3-13,15,17-18,20,22-37,40H2,1-2H3,(H,42,43)/b16-14-,21-19+/t38-/m1/s1
INCHIAUX=MUMXZJZWEGBYIE-ARKVWIGOSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724222
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724222
SCANS=1564
140.00587463378906	25.0
140.0184783935547	22.0
149.8236846923828	12.86407470703125
170.56626892089844	19.0
239.24815368652344	22.0
253.2183380126953	104.0
254.2101287841797	8.478599548339844
254.2256317138672	65.864013671875
255.22654724121094	20.0
255.24807739257812	32.306365966796875
267.2148132324219	41.655792236328125
267.2356872558594	112.298095703125
281.24957275390625	1949.322265625
282.2511901855469	256.98486328125
301.138916015625	15.0
311.17803955078125	16.0
418.2661437988281	22.441574096679688
418.2923583984375	62.567230224609375
423.2666931152344	15.0
432.2841796875	14.0
436.2801513671875	199.2406005859375
437.2790222167969	66.8505859375
437.29736328125	16.578384399414062
446.28790283203125	33.0
464.30767822265625	15.0
700.3326416015625	16.0
700.44873046875	28.057769775390625
700.526123046875	966.84033203125
700.5968017578125	33.8905029296875
701.3552856445312	40.0
701.5184936523438	140.70556640625
701.546630859375	191.8050537109375
702.2850952148438	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724226
PEPMASS=748.522
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-22:5_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((docosa-5.7.9.11.13-pentaen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCC/C=C/C=C/C=C/C=C/C=C/CCCCCCCC
INCHI=InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h14,16-23,25,27,29,42H,3-13,15,24,26,28,30-41,44H2,1-2H3,(H,46,47)/b16-14-,18-17+,20-19+,22-21+,25-23+,29-27+/t42-/m1/s1
INCHIAUX=BMVXOFPPFREWEM-RIRGDHNGSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724226
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724226
SCANS=1529
197.02719116210938	18.0
203.17625427246094	12.886833190917969
204.1827850341797	15.0
282.23687744140625	14.0
285.2475280761719	50.0
286.2590637207031	27.0
301.215576171875	75.51318359375
301.225830078125	42.0308837890625
303.2194519042969	29.0
329.241943359375	181.48681640625
329.2655029296875	90.50335693359375
330.2541809082031	86.06573486328125
436.27923583984375	42.0
446.3004455566406	16.0
465.3104553222656	47.0
706.4730224609375	18.0
731.5247192382812	13.0
747.5370483398438	42.9251708984375
747.5606689453125	12.940910339355469
748.49267578125	79.68194580078125
748.539794921875	259.095703125
748.6491088867188	15.0
749.2378540039062	19.0
749.5269775390625	149.126220703125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724227
PEPMASS=746.509
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-22:6_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((docosa-5.7.9.11.13.15-hexaen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCC/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCC
INCHI=InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13-23,25,27,29,42H,3-12,24,26,28,30-41,44H2,1-2H3,(H,46,47)/b15-13+,16-14-,18-17+,20-19+,22-21+,25-23+,29-27+/t42-/m1/s1
INCHIAUX=FWJRLEZNLNTPHC-KMFJJMLJSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724227
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724227
SCANS=1442
107.0867919921875	34.0
109.09492492675781	20.0
117.06568908691406	22.723709106445312
121.09352111816406	32.0
131.08616638183594	12.814163208007812
133.103515625	55.0
135.11770629882812	23.0
137.13607788085938	14.0
140.01565551757812	99.0
143.08193969726562	23.0
145.10110473632812	14.897346496582031
149.1272735595703	11.520591735839844
149.13784790039062	31.479415893554688
158.10916137695312	19.0
160.66876220703125	14.0
161.1383514404297	20.0
163.14149475097656	16.0
169.0993194580078	15.0
175.14833068847656	51.0
177.16078186035156	97.0
177.18203735351562	20.0
180.04141235351562	20.0
181.1273193359375	49.0
191.17881774902344	136.1790771484375
193.1049041748047	30.0
195.14149475097656	17.0
196.03826904296875	63.92578125
203.1890411376953	39.0
215.17123413085938	20.0
217.111328125	19.0
227.1842803955078	25.0
229.19554138183594	304.185546875
229.2145233154297	50.51690673828125
230.20164489746094	23.0
239.2345428466797	29.9901123046875
239.25827026367188	15.222732543945312
239.35581970214844	15.0
242.2051239013672	17.837722778320312
244.14122009277344	19.0
249.18600463867188	56.0
255.22682189941406	16.0
256.2167053222656	14.0
271.1891784667969	68.0
283.2432861328125	3804.78125
283.3959655761719	15.0
284.2395935058594	248.95556640625
284.2527770996094	400.735595703125
291.2062683105469	15.0
327.23388671875	7502.46484375
327.2886962890625	15.2899169921875
328.2355041503906	904.345703125
351.5776672363281	23.0
375.2388916015625	109.0
376.2337646484375	18.0
418.27325439453125	977.35498046875
419.2685241699219	69.7032470703125
436.2849426269531	2530.4609375
437.2845153808594	365.26416015625
437.3243713378906	21.057220458984375
443.1783142089844	18.0
480.36224365234375	16.0
506.2449645996094	13.0
538.5175170898438	19.0
575.2578125	25.0
734.1852416992188	15.0
745.447021484375	18.0
745.9995727539062	18.0
746.5134887695312	7600.2421875
746.9551391601562	16.0
747.5126342773438	2644.22265625
747.591064453125	56.02203369140625
747.74755859375	55.0
974.35693359375	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724228
PEPMASS=784.621
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-24:1_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((tetracos-9-en-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCCCC/C=C/CCCCCCCCCCCCCC
INCHI=InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16,23-24,44H,3-13,15,17-22,25-43,46H2,1-2H3,(H,48,49)/b16-14-,24-23+/t44-/m1/s1
INCHIAUX=DVMPPWOBINNZRV-WLFDRMLYSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724228
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724228
SCANS=1839
177.13926696777344	19.0
196.05172729492188	22.0
255.2371368408203	16.0
267.26824951171875	19.0
281.23846435546875	55.503662109375
281.2518005371094	155.616455078125
305.6494445800781	12.930076599121094
309.2773742675781	388.0
337.310546875	374.0
337.3379821777344	21.0
338.31195068359375	34.0
365.342041015625	505.00732421875
366.33465576171875	15.0
366.36199951171875	58.0
393.37237548828125	16.0
418.2579345703125	16.886871337890625
418.2793884277344	37.113128662109375
421.2757568359375	20.0
436.2937316894531	79.0
461.3360900878906	16.0
464.32232666015625	15.0
492.32586669921875	9.253639221191406
492.34600830078125	42.67596435546875
516.365478515625	15.0
537.3401489257812	25.0
546.3912353515625	15.0
560.9496459960938	15.0
659.8238525390625	14.0
702.4365234375	13.0
726.4197998046875	29.0
783.7681884765625	15.0
784.615966796875	694.69091796875
784.65185546875	253.4541015625
784.9043579101562	13.0
785.12353515625	15.0
785.5833129882812	48.4361572265625
785.6197509765625	225.0909423828125
785.6641235351562	87.98272705078125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724229
PEPMASS=778.576
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE-O(24:4_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((tetracosa-9.11.13.15-tetraen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCCCC/C=C/C=C/C=C/C=C/CCCCCCCC
INCHI=InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16-24,44H,3-13,15,25-43,46H2,1-2H3,(H,48,49)/b16-14-,18-17+,20-19+,22-21+,24-23+/t44-/m1/s1
INCHIAUX=YUEINTYDGGQGOK-HANFBXAESA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724229
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724229
SCANS=1641
176.0469970703125	46.0
255.23590087890625	34.0
265.2467346191406	21.0
267.21319580078125	20.0
277.2159729003906	31.0
278.2179870605469	13.0
303.21600341796875	15.0
305.2214050292969	19.0
305.2455749511719	19.0
309.2823486328125	41.0
315.29443359375	17.0
331.2601318359375	159.0
332.2834777832031	33.0
333.281494140625	471.370361328125
333.2961120605469	160.542236328125
334.2799072265625	106.0
358.2773132324219	15.0
359.2932434082031	1209.994140625
359.396728515625	13.0
359.63824462890625	15.0
360.30755615234375	186.0
401.2445373535156	16.0
419.29803466796875	15.0
436.2757263183594	115.26824951171875
436.29608154296875	44.2091064453125
437.26373291015625	32.0
444.2722473144531	37.0
462.298828125	49.1944580078125
464.3087158203125	37.0
466.3145446777344	23.0
490.3325500488281	27.0
627.5396728515625	19.0
628.4956665039062	18.0
629.510986328125	20.0
689.5130615234375	23.0
704.5292358398438	15.0
714.5465087890625	15.0
718.577392578125	33.0
744.5135498046875	20.215438842773438
744.5374755859375	33.938201904296875
744.5685424804688	13.496429443359375
777.582763671875	19.0
778.5311279296875	148.25732421875
778.57568359375	994.93310546875
778.611328125	173.8685302734375
779.520751953125	29.667266845703125
779.57421875	476.011474609375
779.6351318359375	39.321197509765625
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724230
PEPMASS=774.54
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-24:6_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((tetracosa-7.9.11.13.15.17-hexaen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCC
INCHI=InChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h13-25,27,44H,3-12,26,28-43,46H2,1-2H3,(H,48,49)/b15-13+,16-14-,18-17+,20-19+,22-21+,24-23+,27-25+/t44-/m1/s1
INCHIAUX=UCZUJSHLQILXKX-HLQUKDBYSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724230
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724230
SCANS=1524
137.52151489257812	14.0
239.23838806152344	15.0
269.238037109375	17.0
272.9411926269531	22.0
278.2282409667969	16.0
281.2391357421875	42.02825927734375
281.2532653808594	14.326301574707031
282.2425842285156	17.0
285.26171875	15.0
311.2639465332031	85.0
312.2689208984375	15.0
329.25128173828125	116.0
355.2586364746094	389.646240234375
355.2760009765625	139.5535888671875
356.2640075683594	32.0
393.2437744140625	19.0
405.2601013183594	18.99420166015625
405.2818603515625	25.00579833984375
418.26275634765625	15.0
418.2850646972656	20.0
419.2765808105469	16.0
436.2560729980469	11.11126708984375
436.27777099609375	48.76617431640625
436.3006286621094	62.83526611328125
687.4901733398438	16.0
687.5320434570312	48.25103759765625
688.5067749023438	36.0
714.5387573242188	19.0
715.5738525390625	18.0
717.5046997070312	18.0
728.5758666992188	31.0
773.6787719726562	13.0
774.5196533203125	93.50189208984375
774.558349609375	202.1661376953125
774.6831665039062	19.0
775.4859619140625	17.10992431640625
775.5267333984375	102.7523193359375
775.5691528320312	84.07281494140625
775.6088256835938	15.0
775.6923828125	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724232
PEPMASS=728.559
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-18:1_18:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((octadec-9-en-1-yl)oxy)propan-2-yl oleate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/CCCCCCCC
INCHI=InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-39,42H2,1-2H3,(H,44,45)/b19-17+,20-18-/t40-/m1/s1
INCHIAUX=GHNXVMPBTBKJRP-NZFSMJPNSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724232
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724232
SCANS=1662
130.3473358154297	14.0
178.02249145507812	15.0
192.0723419189453	21.0
205.5023651123047	17.0
210.2115020751953	15.0
242.79652404785156	14.0
255.2379913330078	17.0
259.9315185546875	12.831573486328125
267.22747802734375	22.0
267.28363037109375	15.0
281.1128845214844	15.0
281.2458190917969	1280.9013671875
281.2681579589844	144.121337890625
282.24200439453125	29.61480712890625
282.2625427246094	129.38525390625
295.25213623046875	30.130142211914062
295.2770690917969	14.869865417480469
296.28167724609375	31.0
301.145751953125	35.0
309.268798828125	99.18988037109375
309.29315185546875	10.964767456054688
310.2760009765625	15.0
329.71624755859375	15.0
350.7997131347656	17.0
436.2950439453125	23.0
446.2747802734375	15.0
446.3123474121094	69.0
450.2953796386719	32.0
464.3186340332031	98.218505859375
464.33697509765625	25.607101440429688
465.3248291015625	24.0
479.41375732421875	17.0
667.52099609375	13.0
727.4172973632812	17.0
727.559326171875	15.0
728.5648803710938	595.71044921875
728.63427734375	23.878952026367188
728.6710205078125	13.0
729.525634765625	73.20269775390625
729.5625610351562	170.30908203125
729.60693359375	67.37432861328125
729.7842407226562	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724233
PEPMASS=756.593
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-20:1_18:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((icos-9-en-1-yl)oxy)propan-2-yl oleate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/CCCCCCCCCC
INCHI=InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,20-22,42H,3-17,19,23-41,44H2,1-2H3,(H,46,47)/b21-20+,22-18-/t42-/m1/s1
INCHIAUX=JRSRPSXYXSLXOQ-ZPXGFZFESA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724233
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724233
SCANS=1759
101.97785186767578	20.760116577148438
110.59134674072266	18.6376953125
113.41801452636719	15.0
137.5280303955078	14.878433227539062
140.09434509277344	23.0
142.4139862060547	12.844924926757812
143.86703491210938	16.83624267578125
161.78033447265625	17.0
170.7894287109375	12.811660766601562
174.251220703125	19.0
194.4776611328125	14.0
196.03378295898438	18.8515625
196.04991149902344	19.0
220.0622100830078	17.0
239.23886108398438	23.0
255.2322998046875	76.0
256.2274169921875	15.0
281.24786376953125	531.81103515625
282.232177734375	31.0
282.2557373046875	87.0
309.2794189453125	3069.005859375
309.340576171875	24.0
310.27618408203125	203.716552734375
310.2907409667969	254.5260009765625
311.3123779296875	29.0
313.1827392578125	15.0
319.3128662109375	17.0
337.31158447265625	824.8076171875
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338.3174133300781	50.0
361.71588134765625	14.0
377.9226989746094	20.0
404.7108459472656	20.0
436.283203125	68.0
446.2874755859375	64.05950927734375
446.318359375	72.3306884765625
447.3211669921875	93.0
464.30548095703125	110.35748291015625
464.33404541015625	96.02520751953125
492.358154296875	49.0
500.344482421875	16.0
607.374755859375	38.0
615.157470703125	25.0
729.3397827148438	25.0
744.8990478515625	21.0
756.515869140625	13.030807495117188
756.592529296875	1854.0234375
756.6796875	21.426651000976562
757.590087890625	739.20751953125
758.5728759765625	25.0
760.75830078125	16.0
776.837646484375	17.0
787.6610107421875	15.0
848.6220703125	21.0
934.3157958984375	30.0
945.8367309570312	17.0
988.74658203125	20.0
1004.751953125	30.0
1049.7554931640625	24.0
1064.8961181640625	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724236
PEPMASS=754.576
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-20:1_18:2) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((icos-9-en-1-yl)oxy)propan-2-yl-octadeca-7.9-dienoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCC/C=C/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/CCCCCCCCCC
INCHI=InChI=1S/C43H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,20-22,24,26,42H,3-17,19,23,25,27-41,44H2,1-2H3,(H,46,47)/b21-20+,22-18-,26-24+/t42-/m1/s1
INCHIAUX=UYGHVMCCCBBZFF-OMHZXBSDSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724236
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724236
SCANS=1676
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164.0318145751953	14.0
195.92098999023438	14.0
196.0281982421875	15.0
253.20407104492188	18.40179443359375
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256.23846435546875	30.0
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282.2501220703125	178.861083984375
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306.2535705566406	22.0
308.6353454589844	15.0
308.7858581542969	15.855125427246094
309.1084899902344	23.0
309.2771911621094	4169.71875
309.3187561035156	15.776847839355469
310.2832946777344	728.1806640625
335.279541015625	24.0
335.303466796875	33.70111083984375
337.31329345703125	47.0
337.64501953125	15.0
401.26434326171875	17.0
444.27960205078125	38.0
445.2806091308594	41.0
462.2823181152344	128.3162841796875
462.3078918457031	206.765625
463.2740783691406	16.686874389648438
463.3074645996094	77.3131103515625
489.2939758300781	18.0
490.3089599609375	42.117431640625
490.3328552246094	105.37066650390625
491.334228515625	17.0
518.349365234375	36.0
547.5333251953125	62.0
635.4251708984375	24.0
754.4859619140625	16.373214721679688
754.5736083984375	2918.158203125
754.6546630859375	17.322113037109375
754.7005615234375	21.0
754.8143920898438	28.0
755.5719604492188	848.11279296875
755.6200561523438	108.67120361328125
755.9969482421875	14.0
776.1041870117188	14.0
787.2415771484375	19.0
870.1617431640625	23.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724237
PEPMASS=780.586
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-22:2_18:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((docosa-9.11-dien-1-yl)oxy)propan-2-yl-octadeca-7.9-dienoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCC/C=C/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/C=C/CCCCCCCCCC
INCHI=InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,20-24,26,28,44H,3-17,19,25,27,29-43,46H2,1-2H3,(H,48,49)/b21-20+,23-22+,24-18-,28-26+/t44-/m1/s1
INCHIAUX=SHTCURLOQDGHTL-WTMZMWQASA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724237
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724237
SCANS=1704
255.23068237304688	14.835556030273438
264.3802490234375	19.0
279.2173767089844	14.0
281.2385559082031	16.922348022460938
283.26434326171875	15.961036682128906
297.2615966796875	18.0
303.2404479980469	12.792068481445312
307.2510681152344	14.0
317.2435607910156	16.0
321.27496337890625	20.0
331.275634765625	16.0
333.2749938964844	12.815849304199219
334.2763977050781	15.934860229492188
335.27130126953125	28.718338012695312
335.2983093261719	503.6572265625
336.29937744140625	76.30145263671875
341.8747863769531	27.0
360.3081359863281	14.0
361.3097229003906	200.0
362.3074951171875	18.0
364.36395263671875	20.0
436.2619934082031	23.0
446.28265380859375	21.0
462.2775573730469	15.0
462.302978515625	45.55120849609375
491.1983947753906	17.0
591.3533325195312	19.0
593.5272827148438	23.0
631.549072265625	17.0
666.43701171875	15.0
702.6446533203125	15.0
719.5618286132812	15.0
734.5999755859375	15.0
747.6644287109375	16.0
779.5772094726562	18.0
780.55810546875	65.275146484375
780.6016235351562	431.8515625
780.6582641601562	18.159454345703125
781.594482421875	214.0
781.6693115234375	20.0
835.4652099609375	16.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724239
PEPMASS=772.526
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-22:5_18:2) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((docosa-7.9.11.13.15.17-hexaen-1-yl)oxy)propan-2-yl-octadeca-7.9-dienoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCC/C=C/C=C\CCCCCCCC)=O)COCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/CCCC
INCHI=InChI=1S/C45H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h9,11,13,15,17-28,44H,3-8,10,12,14,16,29-43,46H2,1-2H3,(H,48,49)/b11-9+,15-13+,19-17+,21-20+,23-22+,24-18-,27-25+,28-26+/t44-/m1/s1
INCHIAUX=AKHYEXOWNABZJJ-YWHUWMQVSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724239
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724239
SCANS=1458
117.0721664428711	22.0
121.60514068603516	15.0
131.0883331298828	16.0
132.6125030517578	15.0
135.751953125	19.0
137.1381378173828	31.0
137.58731079101562	21.0
140.0050811767578	18.0
143.08016967773438	15.870353698730469
143.89501953125	15.0
147.1813507080078	14.0
149.44607543945312	26.0
150.74790954589844	12.740669250488281
152.17236328125	15.824722290039062
152.6656036376953	12.924186706542969
154.89393615722656	12.639083862304688
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163.15447998046875	15.0
168.39857482910156	15.0
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179.95823669433594	15.0
183.4644317626953	16.0
189.1641082763672	15.0
191.18206787109375	118.0
191.70376586914062	14.0
196.036376953125	74.0
197.09524536132812	14.0
203.1636505126953	47.0
203.1841583251953	22.0
206.51971435546875	15.0
211.51365661621094	15.0
217.13172912597656	24.0
221.05149841308594	25.0
224.9558563232422	19.0
225.15090942382812	12.877105712890625
227.17588806152344	13.0
229.19581604003906	267.681640625
229.21463012695312	38.441802978515625
247.16012573242188	18.0
249.182373046875	67.56097412109375
249.20213317871094	16.021942138671875
255.2259979248047	20.0
265.2466125488281	26.434463500976562
265.2586669921875	11.932243347167969
272.1781921386719	19.0
281.25238037109375	48.0
283.2425842285156	1852.142578125
283.6083984375	14.0
284.2463684082031	275.0
310.2158508300781	16.0
327.2320251464844	4032.267578125
328.2234802246094	304.263427734375
328.2398681640625	480.713134765625
329.2504577636719	35.0
401.24261474609375	68.0
420.0504455566406	15.0
444.2607116699219	142.7783203125
444.28485107421875	632.3330078125
445.28759765625	128.0
445.4113464355469	17.0
449.2877197265625	28.0
462.29998779296875	1209.3408203125
462.7225646972656	16.0
463.294189453125	124.50531005859375
463.3236083984375	17.49468994140625
491.7890930175781	22.0
526.2685546875	19.0
533.5132446289062	15.0
558.3517456054688	27.0
565.4818725585938	15.0
584.5065307617188	24.0
672.3994750976562	13.0
677.649169921875	20.0
746.5106811523438	27.0
747.5205078125	100.0
748.4828491210938	15.0
748.54638671875	19.0
758.359619140625	14.0
758.5943603515625	13.0
772.5247802734375	4552.265625
772.637451171875	14.0
773.0934448242188	28.0
773.5341796875	1691.5732421875
774.5399169921875	16.0
776.5701904296875	16.0
778.5454711914062	16.0
781.5626220703125	15.0
793.5548095703125	14.0
842.5858764648438	36.0
849.6132202148438	15.0
853.6181640625	15.0
854.5921020507812	15.0
871.6171264648438	14.0
898.5309448242188	28.0
915.625244140625	23.0
940.785400390625	19.0
988.4805908203125	15.0
1009.6654663085938	17.0
1044.72802734375	21.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724240
PEPMASS=717.468
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PG(16:1_16:1) - [2.3-bis[hexadec-9-enoyloxy]propoxy][2.3-dihydroxypropoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC
INCHI=InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/b15-13-,16-14-/t35-,36+/m0/s1
INCHIAUX=GHQNERCMPIDAAU-NWHZUZAFSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724240
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724240
SCANS=1033
124.04995727539062	13.0
152.9903106689453	15.0
227.03587341308594	36.0
229.17352294921875	23.0
253.21725463867188	559.1943359375
254.21002197265625	15.0
307.093994140625	15.0
322.15924072265625	18.0
384.303466796875	16.0
388.9613037109375	15.0
453.22503662109375	15.0
525.2399291992188	21.0
629.4423828125	15.0
699.5306396484375	15.0
717.375	15.0
717.4127807617188	14.269790649414062
717.4750366210938	215.1744384765625
717.5093383789062	53.187255859375
718.15869140625	14.0
718.4474487304688	22.507843017578125
718.4710693359375	77.6514892578125
718.5884399414062	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724245
PEPMASS=857.518
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(16:0_20:4) - [3-(hexadecanoyloxy)-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40-45,48-52H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
INCHIAUX=KIQYUSYSJTUGFZ-LSLODQAYSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724245
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724245
SCANS=1131
152.9939422607422	37.0
223.003173828125	15.0
241.0018768310547	80.25909423828125
241.0203857421875	115.11737060546875
255.2320098876953	56.0399169921875
255.24868774414062	72.9600830078125
256.22003173828125	17.548492431640625
256.2320861816406	18.211761474609375
281.248046875	20.0
283.2419738769531	13.0
284.246337890625	15.0
297.03765869140625	44.0
303.2211608886719	107.4117431640625
303.23724365234375	191.870849609375
303.2601318359375	26.71734619140625
316.05450439453125	18.0
319.2607727050781	19.0
345.1610107421875	16.9874267578125
391.2139892578125	15.65960693359375
391.2356262207031	70.34039306640625
439.2226257324219	46.0
553.2666015625	79.413818359375
553.2924194335938	101.586181640625
554.2803955078125	18.0
555.4179077148438	17.0
571.2977294921875	19.0
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597.2933959960938	21.0
601.2427368164062	19.0
601.304443359375	15.0
635.7275390625	17.0
721.080810546875	23.0
783.531005859375	15.0
857.5147705078125	2358.810546875
858.531494140625	919.302734375
858.9210205078125	21.0
858.9778442382812	16.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724247
PEPMASS=833.516
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(16:1_18:1) - [3-[hexadec-9-enoyloxy]-2-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCC
INCHI=InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
INCHIAUX=KUIWITMEUHJWDB-IZGNVWOTSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724247
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724247
SCANS=1116
125.0197525024414	19.0
137.0986785888672	24.0
225.17051696777344	26.0
241.00613403320312	150.51953125
241.02056884765625	34.709991455078125
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282.2473449707031	37.0
297.042236328125	30.0
316.0387268066406	24.0
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417.26513671875	49.783721923828125
418.2472839355469	55.0
478.2967834472656	22.0
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551.2484130859375	26.91217041015625
551.2755737304688	32.800079345703125
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580.2636108398438	31.0
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604.3240966796875	28.0
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760.5343017578125	91.4129638671875
760.5679931640625	152.5870361328125
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832.4891967773438	16.422927856445312
832.521240234375	35.5322265625
832.5507202148438	30.044845581054688
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833.5188598632812	2530.509765625
833.6758422851562	17.0
833.7269897460938	15.0
833.8696899414062	16.0
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834.4414672851562	16.926544189453125
834.51513671875	720.7392578125
834.580078125	49.75311279296875
834.6146240234375	14.569618225097656
835.5161743164062	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724248
PEPMASS=863.566
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(18:0_18:1) - [2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40-45,48-52H,3-17,19,21-36H2,1-2H3,(H,53,54)/b20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
INCHIAUX=YOBFISPJJWPPTK-BAAZTTAESA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724248
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724248
SCANS=1355
100.94092559814453	49.0
125.02391052246094	44.0
152.99415588378906	67.0
158.97105407714844	17.0
161.04638671875	31.0
205.1905975341797	14.0
222.99668884277344	36.446990966796875
223.010986328125	32.6895751953125
241.01600646972656	150.0
255.23655700683594	207.2784423828125
259.02069091796875	14.385162353515625
259.0327453613281	24.673812866210938
274.1745910644531	15.0
281.2427062988281	185.579833984375
282.2534484863281	56.0
283.2294616699219	13.938667297363281
283.2403869628906	22.340927124023438
283.26422119140625	178.83447265625
283.2780456542969	150.8154296875
284.271484375	45.0
296.97412109375	15.835960388183594
297.0286865234375	54.665924072265625
297.04901123046875	20.334060668945312
298.053466796875	17.0
301.1504821777344	15.0
301.2156677246094	25.0
309.28656005859375	105.0
315.0454406738281	15.0
315.0660095214844	21.0
320.0931701660156	25.0
327.21502685546875	37.329376220703125
327.2433776855469	101.23162841796875
327.2684326171875	19.0
329.2381591796875	15.0
357.278564453125	21.0
375.2466125488281	21.0
391.23101806640625	23.0
417.26025390625	34.653289794921875
419.25640869140625	448.881591796875
419.286865234375	34.971221923828125
420.26007080078125	58.51239013671875
420.2837829589844	12.487625122070312
437.27227783203125	27.0
445.25433349609375	18.0
480.3060607910156	39.0
495.2881774902344	58.0
552.3001098632812	16.0
579.29150390625	95.98651123046875
580.3245849609375	25.0
581.2861328125	126.1630859375
581.3124389648438	199.8369140625
581.3663940429688	15.0
582.2890625	13.0
582.3242797851562	37.62481689453125
582.3480834960938	34.871795654296875
599.298095703125	18.444595336914062
599.3151245117188	63.46710205078125
688.53271484375	17.0
690.541015625	13.0
701.499267578125	72.0
775.5072631835938	15.0
790.5438232421875	451.823486328125
791.451904296875	20.0
796.544189453125	15.0
804.5308227539062	35.0
846.76953125	17.0
862.5556030273438	51.0
862.619384765625	34.0
863.5642700195312	5788.45703125
863.8033447265625	15.0
863.9496459960938	15.0
864.3643798828125	13.0
864.5645751953125	2446.2734375
989.4794311523438	53.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724249
PEPMASS=861.549
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(18:0_18:2) - [2-[octadeca-9.12-dienoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
INCHIAUX=KZVRAFHIKMDULK-PDPKURFXSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724249
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724249
SCANS=1319
152.99583435058594	15.0
240.99920654296875	26.114608764648438
241.0155029296875	87.8853759765625
279.22857666015625	45.0
281.25665283203125	15.0
283.24920654296875	25.0
283.2727966308594	72.0
307.2617492675781	18.0
339.2037353515625	18.0
391.2152099609375	15.956382751464844
415.2261657714844	14.0
417.24932861328125	23.0
419.25262451171875	99.05560302734375
437.2546081542969	43.0
511.17388916015625	16.0
547.258544921875	14.0
553.2608032226562	15.0
553.2958374023438	14.0
578.254638671875	21.0
579.3035278320312	31.607421875
581.3032836914062	40.0
582.2994384765625	18.0
582.338623046875	28.0
597.2958984375	17.0
599.3057250976562	15.0
701.4779663085938	18.0
815.4722900390625	15.0
860.5592651367188	31.0
861.5446166992188	1015.03662109375
862.5284423828125	192.728759765625
862.5699462890625	294.271240234375
863.6146240234375	15.307464599609375
863.6529541015625	21.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724250
PEPMASS=889.576
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(18:0_20:2) - [2-[icosa-11.14-dienoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42-47,50-54H,3-10,12,14-16,18,20-38H2,1-2H3,(H,55,56)/b13-11-,19-17-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
INCHIAUX=RZFIPFIGUWXYNB-LFAJGPILSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724250
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724250
SCANS=1396
152.99420166015625	50.0
177.166259765625	14.0
222.9972686767578	15.0
241.01768493652344	165.5711669921875
253.21653747558594	19.0
281.23431396484375	39.0
281.2568054199219	60.0
281.283935546875	24.0
283.267822265625	91.98272705078125
283.2909851074219	14.0
284.2679443359375	28.0
297.03485107421875	12.990394592285156
307.2690124511719	164.0
309.2549743652344	22.442779541015625
309.2756652832031	36.096832275390625
310.2816467285156	30.0
417.2297668457031	55.0
419.2505187988281	59.128143310546875
419.268310546875	41.476104736328125
419.2876892089844	78.36981201171875
438.26165771484375	15.0
445.26666259765625	44.0
463.2789611816406	15.0
579.266845703125	37.0
579.2985229492188	16.052932739257812
581.280029296875	32.0
581.3050537109375	18.0
581.3271484375	17.0
582.2957153320312	29.0
598.2940063476562	20.0
599.332275390625	57.0
605.3111572265625	17.0
607.3197021484375	49.0
625.3171997070312	19.0
802.5714111328125	15.0
887.5504150390625	17.0
888.5609130859375	20.0
889.5780639648438	2947.6953125
890.482666015625	38.0
890.5899047851562	1506.8662109375
893.35498046875	14.0
893.7530517578125	22.0
901.5393676757812	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724254
PEPMASS=758.497
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(16:1_18:1) - 2-amino-3-({[3-[hexadec-9-enoyloxy]-2-[octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)C(O)=O
INCHI=InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,36-37H,3-12,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b15-13-,16-14-/t36-,37+/m1/s1
INCHIAUX=MLQMHVBZROKIFK-SOOGBIBMSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724254
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724254
SCANS=1139
152.9913330078125	41.283966064453125
152.99819946289062	77.587158203125
171.00808715820312	19.0
253.21104431152344	117.76275634765625
253.22337341308594	26.856719970703125
267.22760009765625	17.0
279.2314758300781	43.0
281.2324523925781	41.737884521484375
281.2480773925781	204.201416015625
293.2532653808594	14.858917236328125
299.2614440917969	36.0
389.2108459472656	46.0
392.2466125488281	15.0
407.2177734375	15.0
407.2398681640625	26.0
417.23748779296875	105.0
418.2552490234375	20.0
435.24835205078125	79.60357666015625
436.2416687011719	15.0
439.3468322753906	20.0
445.43389892578125	17.0
473.2696228027344	15.0
507.294921875	38.0
670.4531860351562	14.0
670.4851684570312	17.19775390625
671.4248046875	33.073699951171875
671.4669189453125	405.15869140625
672.4232788085938	20.0
672.4700927734375	116.0
684.4432373046875	16.0
684.4775390625	18.474380493164062
684.5057983398438	12.919113159179688
725.9056396484375	13.0
758.5075073242188	236.6058349609375
759.5081176757812	90.24853515625
759.543701171875	39.75146484375
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724255
PEPMASS=760.514
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(18:0_16:1) - 2-amino-3-({[2-[hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O
INCHI=InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,36-37H,3-13,15,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-/t36-,37+/m1/s1
INCHIAUX=BWQAJZLCZFRDSD-FQGNUJBYSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724255
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724255
SCANS=1333
152.99319458007812	59.0
153.99081420898438	19.0
252.281982421875	21.0
253.21763610839844	63.0
255.21697998046875	11.988082885742188
255.23548889160156	106.01190185546875
255.2636260986328	15.0
256.243896484375	18.0
267.2198181152344	15.898948669433594
269.25189208984375	17.0
281.2334289550781	22.919921875
281.24432373046875	34.0025634765625
281.25994873046875	11.603042602539062
283.2641906738281	176.35498046875
295.2314758300781	52.0
295.2765197753906	33.0
391.2186584472656	66.0
405.240966796875	21.0
409.2311706542969	26.593612670898438
409.2449035644531	55.703369140625
417.2679138183594	27.0
419.2613220214844	104.0
436.2345275878906	27.0
437.2664794921875	67.90203857421875
465.2464599609375	23.0
588.4248657226562	16.0
628.526123046875	15.0
673.4765014648438	415.706298828125
674.4785766601562	133.0
687.542724609375	379.0
701.511474609375	24.0
746.900390625	15.0
760.502685546875	221.7203369140625
760.5420532226562	104.41461181640625
761.4526977539062	26.0
761.524169921875	137.40771484375
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724259
PEPMASS=812.539
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_2_322.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(20:3_18:0) - 2-amino-3-({hydroxy[3-[icosa-5.8.11-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O
INCHI=InChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h17,19,22-23,27,29,40-41H,3-16,18,20-21,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b19-17-,23-22-,29-27-/t40-,41+/m1/s1
INCHIAUX=CTYLTOVZVTVNPW-BYZRLOIDSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724259
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724259
SCANS=1334
152.99130249023438	68.0
247.26268005371094	16.0
255.22862243652344	15.0
281.24951171875	79.39996337890625
281.269287109375	25.100814819335938
283.2578125	317.0
284.2674560546875	15.0
284.2833557128906	23.0
303.1524963378906	18.0
303.2281188964844	43.0
305.24725341796875	75.0
306.2454528808594	26.0
309.2801513671875	27.0
321.27569580078125	21.0
329.2368469238281	13.0
419.2198486328125	17.0
419.25482177734375	107.0
421.2642517089844	32.0
433.2435607910156	16.0
437.2475280761719	14.0
437.2802429199219	37.0
441.23480224609375	18.0
462.2433776855469	19.1907958984375
462.25958251953125	13.535140991210938
463.2850646972656	14.0
489.3324890136719	13.0
549.3675537109375	19.0
724.5	80.0
725.49267578125	286.517822265625
725.535400390625	171.9822998046875
726.5230712890625	74.68194580078125
726.5510864257812	20.12408447265625
752.49365234375	21.0
752.5321044921875	35.0
811.5226440429688	30.014617919921875
811.5758056640625	64.0
812.5023803710938	48.801361083984375
812.5420532226562	266.802734375
812.5689086914062	176.7640380859375
813.5396118164062	62.52593994140625
813.5755615234375	200.47412109375
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724202
PEPMASS=782.649
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=HexCer(d22:1_18:0) - N-(3-hydroxy-1-((3.4.5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docos-4-en-2-yl)stearamide [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(N[C@H]([C@@H](/C=C/CCCCCCCCCCCCCCCCC)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O
INCHI=InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(49)39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)47-42(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1
INCHIAUX=ZHKSLKIQYUTTTB-CNUVFPMCSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724202
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724202
SCANS=1731
101.0208740234375	45.0
113.0230484008789	90.0
119.03291320800781	15.847671508789062
133.6687469482422	12.623565673828125
143.04486083984375	47.0
187.32960510253906	20.0
189.4908905029297	21.0
237.21957397460938	18.0
250.2595672607422	17.0
306.2351379394531	19.0
321.3057556152344	15.0
321.331298828125	57.0
333.281494140625	97.5399169921875
334.27178955078125	115.21832275390625
334.2930908203125	30.781692504882812
335.3016662597656	15.0
339.3252868652344	17.0
364.3634948730469	37.908538818359375
367.35394287109375	23.0
380.3666076660156	33.0
392.3879699707031	19.0
400.7510681152344	16.0
448.2972106933594	15.0
460.3367004394531	14.0
464.31085205078125	37.0
465.31036376953125	25.34112548828125
465.34075927734375	17.0
559.9490356445312	14.0
572.6001586914062	46.0
588.5755004882812	16.0
590.5958862304688	44.0
615.8660278320312	17.0
620.5762329101562	170.5728759765625
620.6024780273438	555.408203125
621.59912109375	226.4417724609375
627.5196533203125	18.0
650.8623657226562	21.0
656.570556640625	23.0
701.5322265625	15.0
781.6062622070312	91.0
782.652099609375	1355.4453125
783.0772705078125	38.0
783.54345703125	20.0
783.6604614257812	588.0
783.7420043945312	15.0
784.6830444335938	15.0
795.2728881835938	15.0
799.6598510742188	18.0
803.5520629882812	20.0
804.3369140625	15.0
808.6580810546875	38.0
845.6139526367188	15.0
849.8036499023438	17.0
854.6517333984375	15.0
871.686279296875	34.0
873.64501953125	15.0
874.1810302734375	15.0
920.651123046875	26.0
955.742919921875	26.0
985.7193603515625	15.0
990.742431640625	14.0
994.7048950195312	16.0
1004.7706298828125	18.0
1007.6290893554688	18.0
1032.7740478515625	23.0
1034.583740234375	17.0
1093.91162109375	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724208
PEPMASS=712.493
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(16:1_18:2) - (2-aminoethoxy)[3-[hexadec-9-enoyloxy]-2-[octadeca-9.12-dienoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37H,3-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b13-11-,16-14-,18-17-/t37-/m1/s1
INCHIAUX=SSRRIJSEUKHYFB-DFCPKGTFSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724208
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724208
SCANS=1323
253.21832275390625	465.8486328125
254.1949920654297	15.0
254.21893310546875	63.0
279.2320861816406	1063.4072265625
279.4767150878906	15.0
280.23779296875	263.421875
280.25494384765625	32.804901123046875
281.24725341796875	16.959075927734375
282.2445373535156	21.0
450.2626953125	80.0
476.2732238769531	15.0
477.27410888671875	15.0
563.3518676757812	23.0
563.4762573242188	14.0
645.5593872070312	15.0
651.6131591796875	16.0
711.4832153320312	23.0
712.4849243164062	282.90869140625
712.53466796875	36.9432373046875
713.4891357421875	216.15087890625
713.5260620117188	61.53448486328125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724211
PEPMASS=740.521
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(18:1_18:2) - (2-aminoethoxy)[3-[octadec-11-enoyloxy]-2-[octadeca-9.12-dienoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39H,3-11,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,15-13-,20-18-/t39-/m1/s1
INCHIAUX=SUGLKZVXTGKYMP-AVRWMSRUSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724211
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724211
SCANS=1444
127.72090911865234	19.0
130.13961791992188	23.0
133.56298828125	12.75006103515625
138.1253662109375	16.0
140.00994873046875	42.0
145.16493225097656	16.825927734375
147.77635192871094	19.0
164.94085693359375	39.0
169.41905212402344	15.0
184.02825927734375	15.0
196.02304077148438	15.753135681152344
196.03958129882812	124.24688720703125
200.9715576171875	15.0
253.2054901123047	25.906280517578125
253.22247314453125	128.189453125
255.22328186035156	23.0
255.25283813476562	21.0
256.2233581542969	16.0
256.2520446777344	14.0
274.26519775390625	24.0
277.831298828125	13.0
279.1791687011719	23.0
279.2325439453125	11378.125
279.2947998046875	13.0
279.3167724609375	13.0
279.9327697753906	15.895858764648438
280.2361145019531	1354.8662109375
281.2473449707031	4431.52734375
282.24267578125	167.568603515625
282.2546691894531	295.67431640625
284.2648010253906	20.0
303.235107421875	20.0
304.2424621582031	28.0
305.24365234375	70.0
307.258544921875	35.0
375.40789794921875	19.0
383.27099609375	34.0
404.23248291015625	14.0
404.272216796875	13.0
423.11297607421875	16.0
458.260986328125	31.0
460.27685546875	48.420013427734375
460.2928771972656	70.53973388671875
460.31256103515625	63.761077880859375
461.4902038574219	17.0
476.2627868652344	80.1708984375
476.2893981933594	12.829086303710938
478.2668151855469	106.92974853515625
478.2987976074219	598.0703125
479.2724609375	49.250518798828125
479.314453125	48.688812255859375
479.33807373046875	20.0
501.2789306640625	19.0
504.29547119140625	21.0
680.4940185546875	14.0
689.5526123046875	36.0
703.53076171875	16.0
730.66796875	16.0
739.5028686523438	61.889404296875
739.5384521484375	30.110610961914062
740.2561645507812	16.0
740.5218505859375	5234.46875
740.5773315429688	269.110595703125
741.5250244140625	1889.3017578125
741.5951538085938	36.648529052734375
746.5338134765625	13.0
747.4826049804688	28.564651489257812
747.5217895507812	37.435333251953125
750.5506591796875	15.0
758.5748901367188	13.0
764.5191040039062	29.0
765.5537719726562	30.0
766.72021484375	15.0
776.55078125	19.0
788.5444946289062	38.0
789.5656127929688	21.0
790.5715942382812	16.0
791.5467529296875	18.0
815.4811401367188	22.0
842.6173706054688	20.0
877.5857543945312	14.0
913.59326171875	19.0
989.0472412109375	15.0
1001.885498046875	15.0
1043.459228515625	17.0
1075.81201171875	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724216
PEPMASS=820.601
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(18:1_24:4) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-tetracosa-9.11.13.15-tetraenoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C/C=C/C=C\C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
INCHI=InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17-26,45H,3-16,27-44,48H2,1-2H3,(H,51,52)/b19-17+,21-20-,23-22+,25-18-,26-24+/t45-/m1/s1
INCHIAUX=IBHCRKWVEUYRMR-INNVUDOHSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724216
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724216
SCANS=1594
255.23477172851562	2124.912109375
256.2282409667969	122.36199951171875
256.24066162109375	73.66656494140625
256.4041442871094	17.0
269.2667236328125	16.0
281.22918701171875	32.627410888671875
281.25042724609375	119.36480712890625
281.2601318359375	37.50372314453125
282.233642578125	20.0
282.2508239746094	40.0
283.26470947265625	782.0
283.4343566894531	20.0
284.26708984375	109.0
286.9227294921875	12.826820373535156
293.2294921875	19.0
329.246337890625	24.0
331.1902160644531	21.0
359.3074951171875	43.0
360.3160400390625	26.0
419.24517822265625	73.0
435.0369873046875	16.0
438.36895751953125	17.0
479.72943115234375	15.0
480.2881774902344	18.0
480.3170471191406	44.0
490.3054504394531	20.972976684570312
490.32708740234375	25.027023315429688
490.3570861816406	19.0
491.320068359375	14.0
494.34619140625	26.0
508.33563232421875	88.83575439453125
508.3635559082031	20.433212280273438
509.33154296875	13.816009521484375
509.35589599609375	18.736160278320312
556.3243408203125	19.0
628.5569458007812	14.0
736.8961181640625	13.0
744.6149291992188	20.0
745.5382080078125	39.0
745.5859375	64.885498046875
745.6136474609375	53.737640380859375
746.498779296875	27.8590087890625
746.5680541992188	2956.94140625
746.91552734375	22.0
747.5526733398438	366.758544921875
747.5772705078125	869.61474609375
751.5259399414062	15.0
760.6517944335938	24.0
769.576171875	20.0
769.643310546875	68.0
771.6190185546875	16.0
819.6761474609375	19.0
820.59228515625	270.827392578125
820.6297607421875	53.830963134765625
820.7139892578125	21.0
821.5152587890625	14.0
821.6175537109375	117.082275390625
821.669921875	43.49267578125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724219
PEPMASS=850.633
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(24:0_20:4) - (2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-(tetracosanoyloxy)propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,28,30,34,36,47H,3-11,13,15-17,19,21-27,29,31-33,35,37-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,30-28-,36-34-/t47-/m1/s1
INCHIAUX=GESKNGDAHOOUNS-UDJXVDAQSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724219
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724219
SCANS=1820
140.01744079589844	14.559944152832031
141.0923309326172	45.0
145.04661560058594	15.0
158.97218322753906	14.0
228.15582275390625	37.0
255.2412567138672	32.0
259.23931884765625	19.63427734375
259.2532958984375	18.54254150390625
303.23394775390625	658.43994140625
303.2559814453125	75.53240966796875
304.24029541015625	47.0
367.33709716796875	26.7696533203125
367.3596496582031	120.2303466796875
368.3568420410156	55.676025390625
434.3509826660156	19.0
500.2653503417969	15.0
564.3671875	14.0
573.0645751953125	25.0
602.5232543945312	13.0
701.5045776367188	21.0
787.4459838867188	18.0
801.6873779296875	114.4007568359375
833.8226928710938	20.0
849.6025390625	25.0
849.6542358398438	73.7550048828125
849.6950073242188	107.91064453125
850.604248046875	193.153564453125
850.6513061523438	159.1180419921875
851.4801635742188	16.0
851.5235595703125	43.735321044921875
851.616455078125	32.86083984375
851.6625366210938	89.69659423828125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724224
PEPMASS=720.5
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-20:5_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((icosa-5.7.9.11.13-pentaen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCC/C=C/C=C/C=C/C=C/C=C/CCCCCC
INCHI=InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h13-21,23,25,27,40H,3-12,22,24,26,28-39,42H2,1-2H3,(H,44,45)/b15-13+,16-14-,18-17+,20-19+,23-21+,27-25+/t40-/m1/s1
INCHIAUX=MTBNRTJRCZXENP-RXMDBXAQSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724224
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724224
SCANS=1407
123.12421417236328	12.817855834960938
301.1945495605469	11.075775146484375
301.2158203125	112.92425537109375
419.2651672363281	21.0
436.2816162109375	13.0
720.4705810546875	57.698333740234375
720.4991455078125	72.3016357421875
720.6079711914062	44.0
721.49169921875	23.0
721.5186767578125	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724234
PEPMASS=698.511
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-16:1_18:2) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((hexadec-9-en-1-yl)oxy)propan-2-yl-octadeca-7.9-dienoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCC/C=C/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/CCCCCC
INCHI=InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22,38H,3-13,15,18,21,23-37,40H2,1-2H3,(H,42,43)/b16-14+,19-17-,22-20+/t38-/m1/s1
INCHIAUX=MQQVTDBTFLBZJT-VFGZTFTOSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724234
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724234
SCANS=1479
125.42659759521484	16.856689453125
125.62312316894531	18.610198974609375
128.93492126464844	17.0
138.95584106445312	15.0
140.01272583007812	48.0
143.30633544921875	22.987274169921875
149.76210021972656	15.0
161.0322723388672	19.0
166.0244598388672	30.0
173.19430541992188	12.805183410644531
196.0340118408203	54.029998779296875
196.04684448242188	18.62847900390625
197.0382843017578	15.0
225.19125366210938	17.794830322265625
253.21688842773438	8500.734375
253.3022918701172	35.0
254.19638061523438	20.140914916992188
254.21995544433594	754.087890625
254.24954223632812	27.297515869140625
265.2610778808594	63.0
268.2326354980469	35.0
273.0059509277344	15.0
279.2310791015625	31.0
280.2347106933594	15.0
281.249755859375	1145.0908203125
282.2452087402344	170.0
301.1315612792969	24.0
303.1302490234375	16.0
335.7015380859375	18.0
351.9312744140625	17.0
401.2283020019531	12.535896301269531
401.2408447265625	23.40625
409.4634094238281	15.0
416.2476501464844	15.0
417.22552490234375	13.0
420.5462341308594	28.0
434.23681640625	18.096450805664062
434.2611389160156	52.145355224609375
434.2792053222656	19.4681396484375
435.4800109863281	14.0
444.2891845703125	361.528564453125
445.2950439453125	52.0
462.08819580078125	14.0
462.2929382324219	690.00830078125
463.2813720703125	68.81414794921875
463.30767822265625	98.244140625
495.64849853515625	20.0
510.31854248046875	25.0
598.854248046875	32.0
686.248779296875	33.0
698.4346923828125	23.923171997070312
698.5086059570312	4559.67578125
698.613525390625	14.0
698.9081420898438	18.0
698.95703125	15.0
699.5145874023438	1440.98046875
699.6691284179688	14.0
700.4948120117188	19.0
700.830322265625	29.0
701.2633056640625	27.0
705.7450561523438	16.0
766.538818359375	36.0
767.5274047851562	30.0
778.5172729492188	14.0
778.5640258789062	15.0
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856.5299072265625	15.0
870.6111450195312	15.0
881.6195678710938	13.0
887.6594848632812	19.0
892.5885009765625	13.0
893.6087036132812	15.0
985.3968505859375	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724235
PEPMASS=726.542
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-18:1_18:2) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((octadec-9-en-1-yl)oxy)propan-2-yl-octadeca-7.9-dienoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCC/C=C/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C/CCCCCCCC
INCHI=InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,40H,3-16,21,23,25-39,42H2,1-2H3,(H,44,45)/b19-17+,20-18-,24-22+/t40-/m1/s1
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724235
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724235
SCANS=1577
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110.53772735595703	12.585433959960938
121.35636138916016	15.0
132.10897827148438	15.0
140.00914001464844	52.0
146.7022247314453	15.0
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194.93194580078125	27.0
227.4473419189453	12.813056945800781
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253.20497131347656	42.0
265.256103515625	46.0
265.28961181640625	12.816452026367188
266.2474670410156	13.0
281.1495666503906	30.0
281.2489013671875	9086.984375
281.2876892089844	40.28240966796875
281.38922119140625	46.0
281.47772216796875	35.0
282.2528991699219	972.61376953125
295.24609375	31.0
309.2799987792969	28.0
334.7826232910156	13.0
401.2442626953125	20.0
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444.2837219238281	404.65478515625
445.2742004394531	23.841049194335938
445.29486083984375	38.1826171875
445.3220520019531	19.0
447.30419921875	15.0
462.27862548828125	250.808837890625
462.308837890625	569.4609375
463.26385498046875	30.0
463.29693603515625	103.8529052734375
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702.5092163085938	35.0
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725.626220703125	29.0
725.9636840820312	20.0
726.53955078125	4178.2890625
727.5497436523438	1599.62890625
728.5294799804688	15.0
730.5186767578125	29.0
744.5689086914062	18.0
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758.4891967773438	19.0
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768.5382080078125	13.1292724609375
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783.552978515625	27.0
784.572265625	15.0
793.5308227539062	16.0
793.5894165039062	15.0
795.559326171875	29.0
796.5883178710938	15.0
800.4573364257812	27.0
804.5933227539062	23.0
805.5950927734375	14.0
814.5511474609375	23.0
816.6595458984375	14.0
817.5743408203125	14.0
820.60546875	15.0
830.6312866210938	26.0
842.5518798828125	20.0
843.5753784179688	16.0
847.5991821289062	20.0
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1019.471435546875	17.0
1027.534912109375	14.0
1061.6739501953125	15.0
1089.481689453125	21.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724246
PEPMASS=835.534
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(16:1_18:0) - [3-[hexadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCC
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INCHIAUX=TVDFSQJMXQJSTQ-FVTXIWCXSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724246
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724246
SCANS=1290
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108.17150115966797	19.0
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253.21812438964844	37.29034423828125
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284.2830505371094	18.851119995117188
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328.2525329589844	17.0
391.2389831542969	14.0
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505.2809143066406	20.0
553.2733154296875	24.966018676757812
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749.5000610351562	117.0
760.47998046875	44.36798095703125
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760.580078125	18.0
771.5139770507812	15.0
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810.5272216796875	22.0
814.5685424804688	63.0
818.5408935546875	16.0
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861.5164794921875	53.097198486328125
861.553955078125	120.90283203125
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862.5918579101562	21.228515625
863.5711669921875	62.0
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885.5413208007812	116.0
885.6113891601562	13.0
886.5706176757812	33.0
887.5564575195312	22.0
888.5648803710938	15.0
1004.1180419921875	14.0
1008.1165771484375	15.0
1008.4324340820312	17.0
1022.674560546875	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724251
PEPMASS=887.566
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_1_321.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(18:0_20:3) - [2-[icosa-5.8.11-trienoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC
INCHI=InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,39,42-47,50-54H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
INCHIAUX=BSTMJEKBGMABBW-SVOBYVNYSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00005724251
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724251
SCANS=1339
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1023.680908203125	19.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724199
PEPMASS=618.579
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=Cer(d18:1/22:1) - N-[1.3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
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INCHIAUX=YHMJTZZWEXBHQK-MUDOESHNSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00005724199
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724199
SCANS=1726
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618.5939331054688	363.88134765625
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619.5761108398438	132.17919921875
619.6046142578125	67.7586669921875
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END IONS

BEGIN IONS
TITLE=CCMSLIB00005724204
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COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(16:0_18:0) - (2-aminoethoxy)[3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
INCHI=InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
INCHIAUX=RPJZYOHZALDGKI-DIPNUNPCSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724204
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724204
SCANS=1615
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627.512939453125	15.0
628.4956665039062	18.0
629.4949951171875	17.0
631.4616088867188	13.0
658.63330078125	29.0
717.5380859375	65.9852294921875
717.5726318359375	81.0147705078125
717.6427612304688	17.0
718.1344604492188	13.0
718.49853515625	58.5035400390625
718.5315551757812	195.59423828125
718.5617065429688	109.612060546875
718.5997314453125	16.0
718.6484375	15.0
719.3924560546875	13.0
719.5347900390625	223.0
719.6157836914062	28.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724209
PEPMASS=736.489
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(16:1_20:4) - (2-aminoethoxy)[3-[hexadec-9-enoyloxy]-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
INCHI=InChI=1S/C41H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39H,3-10,12,15,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-/m1/s1
INCHIAUX=SRMGFLRYVIOGEG-ZHOJSJNFSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724209
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724209
SCANS=1304
100.94190216064453	18.0
125.09107971191406	16.692611694335938
131.24267578125	16.0
143.6929931640625	16.824020385742188
165.2559051513672	15.0
178.04598999023438	24.0
190.61354064941406	15.954200744628906
196.03836059570312	43.0
227.20516967773438	15.0
253.21543884277344	580.93359375
254.21571350097656	54.6219482421875
254.2276153564453	11.1986083984375
259.2427062988281	110.4190673828125
260.2371826171875	14.0
303.2285461425781	1553.4541015625
303.2716369628906	18.654022216796875
303.67279052734375	16.0
304.2298583984375	184.53662109375
329.2364501953125	20.9854736328125
329.2496643066406	20.0145263671875
330.2315368652344	25.0
377.3560791015625	37.0
391.21990966796875	21.0
433.27642822265625	17.0
450.2538757324219	122.49432373046875
482.2548828125	24.0
482.2948303222656	37.0
500.2567443847656	38.0
568.2640991210938	14.0
736.485107421875	678.1845703125
736.5341796875	88.81524658203125
737.3410034179688	23.0
737.4622192382812	72.574462890625
737.5023193359375	153.425537109375
760.500732421875	16.0
766.4632568359375	19.0
815.5953979492188	37.0
838.5684814453125	30.0
889.54541015625	15.0
911.553955078125	36.0
912.5501098632812	15.0
1008.4551391601562	13.0
1039.6453857421875	23.0
1084.67822265625	15.0
1090.713134765625	15.0
1094.85546875	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724213
PEPMASS=762.509
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(18:1_20:5) - (2-aminoethoxy)[2-[icosa-5.8.11.14.17-pentaenoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
INCHI=InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,41H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
INCHIAUX=AMKOUQLHUASJMB-LKGUXPQCSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724213
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724213
SCANS=1342
121.107177734375	33.0
122.98118591308594	16.972549438476562
140.0097198486328	50.0
168.04525756835938	316.0
169.03749084472656	17.34991455078125
169.05014038085938	18.65008544921875
196.03018188476562	36.0
196.04733276367188	16.0
203.18020629882812	82.0
214.03585815429688	17.0
223.16651916503906	40.0
227.0280303955078	27.0
239.21165466308594	23.0
254.20602416992188	15.0
255.22166442871094	28.0
257.2271728515625	682.1357421875
258.227783203125	50.0
259.1676330566406	19.0
273.19244384765625	41.0
279.2267150878906	34.0
281.246337890625	1043.173828125
281.4309997558594	16.0
282.2510681152344	102.0
283.2586364746094	26.0
284.25732421875	15.0
295.2586669921875	16.0
301.2149658203125	2359.232421875
301.7665710449219	22.0
302.2140808105469	318.16357421875
302.2335205078125	84.83648681640625
303.2283630371094	218.8084716796875
391.22222900390625	26.0
392.22393798828125	14.0
392.2540283203125	21.0
404.2511291503906	19.0
437.2734680175781	28.0
438.2625427246094	18.0
460.2879638671875	108.95831298828125
476.287841796875	15.0
478.2894592285156	345.652587890625
478.3142395019531	72.347412109375
479.2894287109375	51.0
480.24615478515625	31.0
484.64703369140625	58.0
498.2447509765625	26.0
498.2755432128906	15.0
575.490966796875	16.0
616.4647827148438	31.0
642.4588012695312	21.0
643.4757690429688	15.0
674.4696044921875	58.0
675.4984741210938	18.0
686.5791015625	33.0
687.455810546875	18.951034545898438
687.5431518554688	7436.19921875
688.2481079101562	39.0
688.5458984375	4457.18359375
688.7813720703125	16.0
689.5466918945312	792.3056640625
689.9227294921875	20.0
695.6115112304688	14.0
701.5283203125	15.0
702.4856567382812	89.16241455078125
702.5250854492188	49.361846923828125
703.505126953125	51.192047119140625
703.5241088867188	31.783889770507812
716.5662841796875	29.0
760.617431640625	14.0
761.4744262695312	16.0
761.5241088867188	123.01922607421875
761.5682983398438	75.017578125
761.5955200195312	45.329132080078125
761.698974609375	21.0
762.507568359375	2382.994140625
762.5911865234375	191.041748046875
762.6284790039062	37.567626953125
763.5081176757812	686.9453125
763.6099243164062	15.0
764.5211181640625	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724214
PEPMASS=798.601
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(18:1_22:1) - (2-aminoethoxy)[2-[docos-13-enoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17-19,23,43H,3-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b19-17-,23-18-/t43-/m1/s1
INCHIAUX=HIGXQDJTUMSNNI-CBNMMGITSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724214
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724214
SCANS=1724
105.332763671875	14.0
124.62429809570312	141.0
127.24578094482422	24.0
132.32508850097656	17.0
138.2433624267578	15.687210083007812
157.6158905029297	15.0
163.02781677246094	15.0
193.48182678222656	40.0
195.28765869140625	16.0
196.04197692871094	32.0
209.11746215820312	28.0
253.21592712402344	880.24169921875
254.2160186767578	105.0
255.23387145996094	37.0
271.16168212890625	15.0
281.2489318847656	1918.6767578125
281.2811279296875	18.28411865234375
282.2506103515625	215.837646484375
283.2735900878906	54.0
284.27484130859375	23.0
294.2437438964844	12.920272827148438
309.2821350097656	95.0
310.42724609375	27.0
313.5652160644531	22.0
319.1452331542969	35.0
335.288330078125	34.745574951171875
336.1376647949219	15.0
336.2935485839844	64.0
337.3109130859375	671.2763671875
338.3135070800781	226.917724609375
349.20660400390625	15.0
363.3280334472656	17.0
364.5240783691406	15.911758422851562
365.3124694824219	18.306961059570312
365.3423156738281	264.265869140625
366.34405517578125	16.0
388.23089599609375	16.0
441.4525451660156	62.0
444.14080810546875	15.0
460.2863464355469	14.0
461.2953796386719	15.0
462.2596130371094	15.0
478.28216552734375	32.0
478.3080139160156	17.0
480.31439208984375	19.0
481.27825927734375	21.0
494.0072937011719	15.0
496.0147705078125	40.0
500.5929870605469	19.0
516.3381958007812	16.0
517.350341796875	16.0
534.3217163085938	14.385322570800781
534.3444213867188	50.139678955078125
534.3682250976562	32.824249267578125
535.3414916992188	48.806976318359375
535.3643188476562	24.7255859375
562.3636474609375	14.209632873535156
562.3932495117188	31.790374755859375
613.4901123046875	21.0
716.4915161132812	16.0
771.6465454101562	14.0
780.5802612304688	32.0
782.6641235351562	18.0
797.64794921875	66.03033447265625
797.6822509765625	40.969696044921875
798.5947265625	2028.029296875
798.6641235351562	97.64190673828125
799.5811767578125	348.908203125
799.6165161132812	452.907958984375
799.6539306640625	252.4033203125
799.939453125	15.0
803.55078125	14.0
808.6561889648438	15.0
810.6431274414062	23.0
824.5834350585938	15.0
849.6112060546875	22.0
854.6610717773438	14.0
867.5859985351562	15.0
872.2001953125	15.0
887.658203125	20.0
932.5504150390625	15.0
938.3478393554688	15.0
1012.7454223632812	24.0
1040.9039306640625	24.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724217
PEPMASS=772.583
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(20:0_18:1) - (2-aminoethoxy)[3-(icosanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
INCHI=InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,41H,3-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b21-18-/t41-/m1/s1
INCHIAUX=VDNXNFMAFDYQSI-JHWHEROUSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724217
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724217
SCANS=1718
114.05780792236328	18.0
140.0159454345703	19.0
227.20021057128906	23.888336181640625
253.2135467529297	123.0
253.2429962158203	35.0
255.2413330078125	17.0
281.2452087402344	1059.9189453125
282.2496337890625	187.1156005859375
282.27392578125	11.279373168945312
283.2518615722656	108.0
283.2733459472656	89.0
284.2597351074219	14.95947265625
309.2780456542969	838.83056640625
310.27520751953125	62.791839599609375
310.2852478027344	32.201019287109375
311.2997741699219	320.677001953125
312.2835998535156	43.0
312.3058776855469	72.86407470703125
312.3206787109375	30.994537353515625
337.3029479980469	22.0
339.306884765625	33.808685302734375
339.32611083984375	72.18841552734375
404.24200439453125	20.0
432.81890869140625	14.0
460.3087158203125	16.0
462.2837219238281	15.0
478.2972717285156	69.0
479.2961730957031	17.0
480.29351806640625	29.885833740234375
480.3258361816406	50.384429931640625
481.3131408691406	42.0
508.326416015625	88.29779052734375
508.35162353515625	18.971176147460938
536.3585815429688	15.0
597.2632446289062	15.0
661.5037231445312	20.0
687.51904296875	21.0
715.3318481445312	19.0
771.6282958984375	43.0
771.6934814453125	16.0
772.5186157226562	58.24468994140625
772.5866088867188	1638.533203125
772.6622924804688	11.856842041015625
773.54150390625	102.43060302734375
773.5846557617188	679.5947265625
773.65625	14.032218933105469
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724220
PEPMASS=674.509
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-16:0_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(hexadecyloxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCCCCCCCCCCCC
INCHI=InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,36H,3-13,15,17-35,38H2,1-2H3,(H,40,41)/b16-14-/t36-/m1/s1
INCHIAUX=IGUNMQBJZNKZNQ-ZYODFBQNSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724220
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724220
SCANS=1571
140.00735473632812	31.0
163.0127410888672	50.0
196.02096557617188	14.721267700195312
196.04039001464844	73.0
227.1962127685547	91.26348876953125
227.20465087890625	206.38916015625
228.2058868408203	15.81201171875
239.2318878173828	32.0
253.21047973632812	15.0
254.2191162109375	14.0
255.2332763671875	3649.8359375
255.27713012695312	21.0
255.3415985107422	58.0
256.2308654785156	206.6729736328125
256.2455139160156	110.32696533203125
283.2716064453125	43.0
301.1177978515625	15.0
418.2558288574219	116.0
418.3163146972656	50.0
419.26837158203125	30.0
427.17291259765625	14.0
436.28961181640625	259.14208984375
437.26666259765625	17.899383544921875
437.2847900390625	12.439949035644531
446.3013610839844	16.0
464.3050231933594	36.0
502.3327331542969	18.994644165039062
502.3515625	13.422927856445312
673.4771728515625	33.0
674.5052490234375	1322.4072265625
674.5576171875	111.47174072265625
675.4992065429688	380.753173828125
675.53759765625	179.646728515625
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724223
PEPMASS=722.51
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-20:4_16:1) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-((icosa-7.9.11.13-tetraen-1-yl)oxy)propan-2-yl-hexadec-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCC/C=C/C=C/C=C/C=C/CCCCCC
INCHI=InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h13-21,23,40H,3-12,22,24-39,42H2,1-2H3,(H,44,45)/b15-13+,16-14-,18-17+,20-19+,23-21+/t40-/m1/s1
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USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724223
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1065.7791748046875	20.0
1066.545654296875	28.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724225
PEPMASS=750.541
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCC/C=C/C=C/C=C/C=C/CCCCCCCC
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1079.603271484375	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724231
PEPMASS=702.543
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PE(O-16:0/18:1) - (2-aminoethoxy)[3-(hexadecyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
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1000.3849487304688	17.0
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1084.8243408203125	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724238
PEPMASS=774.545
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
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IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
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PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
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775.5424194335938	1228.5888671875
776.2264404296875	19.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724252
PEPMASS=885.554
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(18:0_20:4) - [2-[icosa-5.8.11.14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
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INCHIAUX=KRTOMQDUKGRFDJ-ZAHDIIMDSA-N
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USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724252
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885.5576171875	262.352294921875
885.6028442382812	58.53125
885.6436767578125	13.0
886.5241088867188	49.93048095703125
886.5629272460938	128.069580078125
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724253
PEPMASS=891.594
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(20:1_18:0) - 3-((hydroxy((2.3.4.5.6-pentahydroxycyclohexyl)oxy)phosphoryl)oxy)-2-(stearoyloxy)propyl-icos-9-enoate [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@@](COP(O)(O[C@H]1C(C(C([C@H](C1O)O)O)O)O)=O)(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCCCC)=O
INCHI=InChI=1S/C47H89O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h20,22,39,42-47,50-54H,3-19,21,23-38H2,1-2H3,(H,55,56)/b22-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
INCHIAUX=UEBHOZRBJQGMBX-AHCKQJGESA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724253
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724253
SCANS=1470
174.95680236816406	57.0
222.99603271484375	16.0
241.00997924804688	27.0
253.59664916992188	18.0
266.7467956542969	23.0
309.2928771972656	28.0
327.2096862792969	14.936660766601562
419.2441711425781	54.0
420.25286865234375	64.0
581.3021240234375	74.0
582.3384399414062	36.0
599.3150634765625	19.0
618.6198120117188	20.0
740.5360717773438	15.0
742.5007934570312	25.0
804.5154418945312	17.0
810.5025024414062	15.784927368164062
810.5301513671875	41.817718505859375
824.5521850585938	16.0
832.5860595703125	16.0
891.4827880859375	30.0
891.57568359375	439.364013671875
891.6056518554688	479.568359375
892.3966674804688	15.0
892.5626831054688	81.89886474609375
892.5979614257812	188.6097412109375
892.6368408203125	111.611328125
893.4741821289062	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724257
PEPMASS=786.526
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(18:1_18:1) - 2-amino-3-({hydroxy[3-[octadec-11-enoyloxy]-2-[octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O
INCHI=InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,38-39H,3-12,14,16-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b15-13-,20-18-/t38-,39+/m1/s1
INCHIAUX=AFRDXDOQWNVNPX-HUXDBWRPSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724257
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724257
SCANS=1277
152.98936462402344	51.67791748046875
153.00054931640625	101.09564208984375
279.21356201171875	19.0
281.2373046875	144.6920166015625
281.25115966796875	529.525390625
282.2402038574219	37.0
417.23773193359375	513.966796875
418.2622375488281	20.0
420.2486877441406	32.0
422.30511474609375	15.0
435.2375183105469	55.298980712890625
435.25946044921875	49.701019287109375
436.25921630859375	33.0
445.2628173828125	15.0
594.410888671875	15.0
625.4638671875	15.0
691.3998413085938	15.0
699.5047607421875	500.2646484375
700.447509765625	30.788482666015625
700.4876098632812	164.667236328125
700.5226440429688	24.321517944335938
712.484619140625	48.0
785.4461669921875	25.300537109375
785.4732055664062	12.180999755859375
786.5105590820312	424.2333984375
786.5459594726562	313.766845703125
787.5311279296875	220.3128662109375
787.5789184570312	92.7265625
792.990234375	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724258
PEPMASS=844.604
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_control_20M_DDA_ESI-_3_323.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(18:1_22:0) - 2-amino-3-({[2-(docosanoyloxy)-3-[octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)=O
INCHI=InChI=1S/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-18-/t42-,43+/m1/s1
INCHIAUX=KKIWTFIITJYWJK-HOFUCYGESA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724258
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724258
SCANS=1629
152.99050903320312	32.832366943359375
153.00526428222656	23.967132568359375
154.00262451171875	14.0
253.21116638183594	52.0
281.23114013671875	20.008056640625
281.2432861328125	74.7393798828125
281.2604064941406	48.091552734375
285.2573547363281	15.0
289.99298095703125	15.0
295.2536315917969	15.0
305.2344970703125	12.882476806640625
337.316650390625	50.0
339.3238220214844	172.0
340.3372497558594	16.935073852539062
367.3569641113281	27.0
397.17791748046875	21.0
417.2253723144531	45.0
418.2441101074219	40.0
420.253173828125	15.0
464.3167724609375	15.0
475.3182678222656	338.122802734375
493.3248596191406	241.2591552734375
494.32757568359375	97.9390869140625
501.3371276855469	14.0
503.3431701660156	116.0
504.380859375	19.0
534.2459716796875	14.0
580.368896484375	40.0
745.5288696289062	64.0
755.9923095703125	30.0
757.5404663085938	160.86181640625
757.5758666992188	385.13818359375
757.630126953125	18.0
758.5687255859375	201.121826171875
758.6140747070312	27.87823486328125
769.592041015625	69.807861328125
769.6215209960938	208.9693603515625
770.5315551757812	16.603546142578125
770.5556640625	13.217826843261719
770.6157836914062	120.8638916015625
770.6765747070312	16.707839965820312
771.5816650390625	74.5960693359375
771.614501953125	64.16436767578125
771.6483154296875	167.7296142578125
771.7999877929688	15.0
772.5774536132812	13.0
776.174560546875	15.0
783.623046875	15.0
784.638427734375	16.0
785.5332641601562	15.0
843.5254516601562	22.0
843.6200561523438	53.0
844.4837646484375	56.0
844.5989990234375	647.7275390625
845.4625244140625	59.0
845.5277709960938	21.0
845.5950317382812	245.4775390625
845.6295776367188	47.676483154296875
1003.5936889648438	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724244
PEPMASS=837.544
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_BAK_20M_DDA_ESI-_1_327.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PI(16:0_18:0) - [3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
INCHI=InChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38-,39-,40+,41-,42-,43-/m1/s1
INCHIAUX=NEXFZIYXCPIHEF-BHIZUYRXSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724244
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724244
SCANS=1363
152.99085998535156	27.0
165.08920288085938	14.0
223.00289916992188	26.0
241.00465393066406	56.0
255.23204040527344	29.265289306640625
255.2522735595703	16.614028930664062
259.2296142578125	16.0
269.2156677246094	19.0
281.2519226074219	30.0
283.25555419921875	103.88311767578125
284.2684326171875	49.0
303.22760009765625	117.52520751953125
303.24896240234375	11.474815368652344
329.1584777832031	19.0
329.2518005371094	17.0
355.26324462890625	15.0
391.2427673339844	63.0
404.2621765136719	20.0
419.25555419921875	47.0
514.3756713867188	15.0
536.3016357421875	15.0
552.3377075195312	20.0
554.2615966796875	13.0
581.3117065429688	21.0
599.304931640625	31.0
745.6951293945312	31.0
749.51953125	124.0
750.51708984375	13.43682861328125
750.558837890625	43.0
751.5270385742188	24.290023803710938
751.5562744140625	14.0
760.5680541992188	13.0
762.5375366210938	37.0
764.498046875	22.0
778.4993896484375	19.0
791.54296875	16.0
836.5269775390625	91.0
836.6744384765625	21.0
837.5469970703125	668.2529296875
838.545654296875	460.21484375
838.5869140625	141.07177734375
END IONS

BEGIN IONS
TITLE=CCMSLIB00005724256
PEPMASS=836.539
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=d13a7832d41440df9a57092cfa9999a2/IOBA_BAK_20M_DDA_ESI-_1_327.mzXML
SEQ=*..*
IONMODE=Negative
ORGANISM=GNPS-IOBA-NHC
NAME=PS(18:0_22:5) - 2-amino-3-({[2-[docosa-4.7.10.13.16-pentaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid [M-H]-
PI=N Auzeil
DATACOLLECTOR=UMR CNRS 8038 Universite de Paris
SMILES=[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O
INCHI=InChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,42-43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1
INCHIAUX=KMPUODCMAGXMDR-APYVNTKLSA-N
PUBMED=N/A
SUBMITUSER=mpanitchpakdi
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00005724256
USI=mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724256
SCANS=1325
108.16622924804688	17.0
152.99685668945312	103.91265869140625
243.40673828125	15.0
248.55267333984375	15.0
257.2140808105469	18.0
267.1161193847656	16.0
283.2602233886719	173.0
284.2708740234375	15.0
297.9063720703125	15.0
301.2330322265625	36.0
329.2505798339844	74.0
372.3926696777344	14.0
419.24603271484375	89.6783447265625
419.2604064941406	127.06829833984375
420.23175048828125	23.854766845703125
420.25701904296875	54.480499267578125
421.2332763671875	17.0
437.2667236328125	89.3870849609375
437.2947998046875	26.905563354492188
438.26898193359375	63.0
465.21826171875	25.822052001953125
465.23699951171875	21.376419067382812
465.2588195800781	22.530929565429688
587.401611328125	13.0
613.4435424804688	13.0
655.5677490234375	20.0
660.8792724609375	20.0
749.5038452148438	423.176025390625
750.4949951171875	39.207489013671875
750.5385131835938	131.79248046875
792.49658203125	21.0
811.5327758789062	23.0
835.4959106445312	14.639106750488281
835.5347900390625	50.05364990234375
836.4700317382812	16.0
836.5421752929688	365.76708984375
836.6248779296875	23.0
837.0675048828125	13.0
837.529052734375	43.817962646484375
837.5653076171875	78.18206787109375
838.5762939453125	16.0
849.5031127929688	15.0
862.5619506835938	15.0
873.5679321289062	16.0
886.5816650390625	22.0
940.5004272460938	14.0
991.1345825195312	22.0
997.3697509765625	13.0
1022.6753540039062	45.0
1023.7239990234375	27.0
1024.6651611328125	24.0
1042.6585693359375	16.0
1043.5048828125	15.0
END IONS