Dataset

10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS004002 contains the MS2 mass spectrum of 10E, 12Z-Linoleic acid with the InChIkey GKJZMAHZJGSBKD-NMMTYZSQSA-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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILES CCCCC/C=C\C=C\CCCCCCCCC(=O)O
InChI Key GKJZMAHZJGSBKD-NMMTYZSQSA-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-BS004002
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (10E,12Z)-octadeca-10,12-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04746 drugbank
    LMFA01030125 lipidmaps
    ODD rcsb_pdb
    CHEMBL1093743 chembl
    1810737 surechembl
    5282800 pubchem
    N151ZM4M27 fdasrs
    PD006429 probes_and_drugs
    135248 brenda
    136938 brenda
    140916 brenda
    155374 brenda
    17847 brenda
    68788 brenda
    89994 brenda
    HMDB0005048 hmdb
    Molport-006-169-924 molport
    50394662 bindingdb
    The data in this table is sourced from UniChem at EBI.