Dataset

1-octadecenoyl-rac-glycerol; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106533_D0B8 contains the MS2 mass spectrum of 1-octadecenoyl-rac-glycerol with the InChIkey RZRNAYUHWVFMIP-KTKRTIGZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
InChI Key RZRNAYUHWVFMIP-KTKRTIGZSA-N
Molecular Formula C21H40O4
Exact Mass 356.293 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_N106533_D0B8
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MetadataPublished 2022-04-09
Related Molecule
  • 2,3-dihydroxypropyl (Z)-octadec-9-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13171 drugbank
    CHEBI:75342 chebi
    LMGL01010005 lipidmaps
    CHEMBL428593 chembl
    15603 surechembl
    5283468 pubchem
    D3AEF6S35P fdasrs
    PD046619 probes_and_drugs
    102055 brenda
    10921 brenda
    125614 brenda
    130187 brenda
    131172 brenda
    139638 brenda
    166343 brenda
    167295 brenda
    19869 brenda
    198847 brenda
    233316 brenda
    30984 brenda
    47489 brenda
    50981 brenda
    56433 brenda
    59247 brenda
    6409 brenda
    6556 brenda
    98221 brenda
    99721 brenda
    99722 brenda
    Molport-003-849-693 molport
    50529937 bindingdb
    The data in this table is sourced from UniChem at EBI.