Dataset

gamma-Linolenic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N104932_187B contains the MS2 mass spectrum of gamma-Linolenic acid with the InChIkey VZCCETWTMQHEPK-QNEBEIHSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
InChI Key VZCCETWTMQHEPK-QNEBEIHSSA-N
Molecular Formula C18H30O2
Exact Mass 278.225 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N104932_187B
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MetadataPublished 2022-04-09
Related Molecule
  • (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13854 drugbank
    CHEBI:28661 chebi
    LMFA01030141 lipidmaps
    CHEMBL464982 chembl
    19418 surechembl
    5280933 pubchem
    78YC2MAX4O fdasrs
    PD014105 probes_and_drugs
    108552 brenda
    115713 brenda
    126387 brenda
    136297 brenda
    152071 brenda
    182806 brenda
    182932 brenda
    202736 brenda
    21743 brenda
    228704 brenda
    3746 brenda
    42608 brenda
    48190 brenda
    78714 brenda
    HMDB0003073 hmdb
    Molport-003-937-818 molport
    1276 drugcentral
    50269532 bindingdb
    The data in this table is sourced from UniChem at EBI.