GNPS Library Spectrum CCMSLIB00005724071

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005724071
Compound NamePC(16:1_17:1) - 2-((heptadec-9-enoyl)oxy)-3-((hexadec-9-enoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphate
PIN Auzeil
Data CollectorUMR CNRS 8038 Universite de Paris
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
Smiles[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724071
Precursor M/Z744.554
Exact Mass743.547
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipGNPS-IOBA-NHC
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentPC(16:1_17:1) - 2-((heptadec-9-enoyl)oxy)-3-((hexadec-9-enoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphateN AuzeilM+HUMR CNRS 8038 Universite de Paris744.554viceleonoreN/A2022-04-26 02:26:51.0
2Comment2-((heptadec-9-enoyl)oxy)-3-((hexadec-9-enoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphateN AuzeilM+HUMR CNRS 8038 Universit� de Paris744.554mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings