Dataset

1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR); LC-ESI-QTOF; MS2; CE:36 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS001052 contains the MS2 mass spectrum of 1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (NMR) with the InChIkey JGWWMNVPHKMUCV-WOBXFXBNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI Key JGWWMNVPHKMUCV-WOBXFXBNSA-N
Molecular Formula C23H42NO7P
Exact Mass 475.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001052
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MetadataPublished 2017-12-01
Related Molecule
  • [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53480928 PubChem
    SLM:000043339 SwissLipids
    HMDB0011479 Human Metabolome Database
    ZINC000040165338 ZINC
    LMGP02050043 LipidMaps
    145259 ChEBI
    The data in this table is sourced from UniChem at EBI.