Dataset

1-octadecanoyl-rac-glycerol; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106418_2347 contains the MS2 mass spectrum of 1-octadecanoyl-rac-glycerol with the InChIkey VBICKXHEKHSIBG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI Key VBICKXHEKHSIBG-UHFFFAOYSA-N
Molecular Formula C21H42O4
Exact Mass 358.308 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_N106418_2347
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MetadataPublished 2022-04-07
Related Molecule
  • 2,3-dihydroxypropyl octadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11250 drugbank
    CHEBI:75555 chebi
    CHEBI:75557 chebi
    LMGL01010003 lipidmaps
    CHEMBL255696 chembl
    4488 surechembl
    24699 pubchem
    258491E1RZ fdasrs
    PD013888 probes_and_drugs
    111788 brenda
    119138 brenda
    119146 brenda
    119217 brenda
    31681 brenda
    31725 brenda
    35306 brenda
    42952 brenda
    47260 brenda
    53906 brenda
    Molport-003-939-321 molport
    The data in this table is sourced from UniChem at EBI.