Dataset

1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-2-phosphocholine (NMR); LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS001055 contains the MS mass spectrum of 1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-2-phosphocholine (NMR) with the InChIkey LSUXCWJOIAWGOU-FTJOPAKQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1
SMILES C(C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC/C=C\C/C=C\CCCCC
InChI Key LSUXCWJOIAWGOU-FTJOPAKQSA-N
Molecular Formula C26H50NO7P
Exact Mass 519.332 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-BS001055
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MetadataPublished 2017-12-01
Related Molecule
  • [(2R)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:76084 chebi
    71768169 pubchem
    SLM:000014195 swisslipids
    HMDB0061700 hmdb
    The data in this table is sourced from UniChem at EBI.