Dataset

9Z, 11E-Linoleic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS004025 contains the MS 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-BS004025
Version
Author
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
    J604.211B Nikkaji
    HY-113162 MedChemExpress
    CHEMBL4303722 ChEMBL
    32608 Brenda
    LMFA01030118 LipidMaps
    DTXSID1041003 EPA CompTox Dashboard
    6720813 eMolecules
    CB7727830 ChemicalBook
    151065 Brenda
    32798 ChEBI
    C04056 KEGG Ligand
    5280644 PubChem
    14799656 PubChem: Thomson Pharma
    46JZW3MR59 FDA SRS
    70092931 NMRShiftDB
    PD020555 ProbesDrugs
    SCHEMBL1270204 SureChEMBL
    155375 Brenda
    72329 Brenda
    43678 Brenda
    HMDB0003797 Human Metabolome Database
    25174 Brenda
    MTBLC32798 Metabolights
    ZINC000008219019 ZINC
    The data in this table is sourced from UniChem at EBI.