GNPS Library Spectrum CCMSLIB00005724079

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005724079
Compound NamePC(18:1_20:1) - (2-{[2-[icos-11-enoyloxy]-3-[octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
PIN Auzeil
Data CollectorUMR CNRS 8038 Universite de Paris
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
SmilesCCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724079
Precursor M/Z814.633
Exact Mass813.625
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-IOBA-NHC
SPLASH Keynull-null-null-null
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Spectrum Tags

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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentPC(18:1_20:1) - (2-{[2-[icos-11-enoyloxy]-3-[octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universite de Paris814.633viceleonoreN/A2022-04-26 02:51:46.0
2Comment(2-{[2-[icos-11-enoyloxy]-3-[octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universit� de Paris814.633mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings