GNPS Library Spectrum CCMSLIB00005724092

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005724092
Compound NamePE(18:1_18:1) - (2-aminoethoxy)[2-[octadec-11-enoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid
PIN Auzeil
Data CollectorUMR CNRS 8038 Universite de Paris
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
Smiles[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724092
Precursor M/Z744.555
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
Download Library Spectrum PeaksDownload Spectrum Peaks
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
1CommentPE(18:1_18:1) - (2-aminoethoxy)[2-[octadec-11-enoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acidN AuzeilM+HUMR CNRS 8038 Universite de Paris744.555viceleonoreN/A2022-04-26 03:38:33.0
2Comment(2-aminoethoxy)[2-[octadec-11-enoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acidN AuzeilM+HUMR CNRS 8038 Universit� de Paris744.555mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings