Dataset

1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106123_E2CE contains the MS2 mass spectrum of 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine with the InChIkey PYVRVRFVLRNJLY-MZMPXXGTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O
InChI Key PYVRVRFVLRNJLY-MZMPXXGTSA-N
Molecular Formula C23H46NO7P
Exact Mass 479.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106123_E2CE
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MetadataPublished 2022-04-07
Related Molecule
  • [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:74971 chebi
    CHEBI:75168 chebi
    LMGP02050004 lipidmaps
    CHEMBL3262734 chembl
    274999 surechembl
    58177709 pubchem
    9547071 pubchem
    PD085548 probes_and_drugs
    244142 brenda
    248114 brenda
    248117 brenda
    SLM:000030158 swisslipids
    HMDB0011506 hmdb
    Molport-046-426-788 molport
    Molport-047-346-098 molport
    The data in this table is sourced from UniChem at EBI.