GNPS Library Spectrum CCMSLIB00005724065

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005724065
Compound Name(2-{[3-hydroxy-2-tetracosanamidooctadeca-4.14-dien-1-yl phosphono]oxy}ethyl)trimethylazanium
PIN Auzeil
Data CollectorUMR CNRS 8038 Universit� de Paris
CAS Number2292199-45-0
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Smiles[H][C@@](COP([O-])(=O)OCC[N+](C)(C)C)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCC\C=C/CCC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724065
Precursor M/Z813.685
Exact Mass812.677
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
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1Comment(2-{[3-hydroxy-2-tetracosanamidooctadeca-4.14-dien-1-yl phosphono]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universit� de Paris813.685mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings