GNPS Library Spectrum CCMSLIB00005724086

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005724086
Compound NamePC-O(18:1_20:4) - (2-{[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-9-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium
PIN Auzeil
Data CollectorUMR CNRS 8038 Universite de Paris
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
Smiles[H][C@@](COCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724086
Precursor M/Z794.605
Exact Mass793.599
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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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-O(18:1_20:4) - (2-{[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-9-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universite de Paris794.605viceleonoreN/A2022-04-26 03:22:54.0
2Comment(2-{[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-9-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universit� de Paris794.605mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings