Dataset

9Z, 11E-Linoleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS004024 contains the MS2 mass spectrum of 9Z, 11E-Linoleic acid with the InChIkey JBYXPOFIGCOSSB-GOJKSUSPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
SMILES C(C(C(C(C(C(/C(=C(/C(=C(\C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])/[H])\[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key JBYXPOFIGCOSSB-GOJKSUSPSA-N
Molecular Formula C18H32O2
Exact Mass 280.240 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-BS004024
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (9Z,11E)-octadeca-9,11-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:32798 chebi
    LMFA01030118 lipidmaps
    CHEMBL4303722 chembl
    1270204 surechembl
    5280644 pubchem
    46JZW3MR59 fdasrs
    PD020555 probes_and_drugs
    151065 brenda
    155375 brenda
    25174 brenda
    32608 brenda
    43678 brenda
    72329 brenda
    HMDB0003797 hmdb
    Molport-009-018-862 molport
    The data in this table is sourced from UniChem at EBI.