Dataset

Linoelaidic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003986 contains the MS mass spectrum of Linoelaidic acid with the InChIkey OYHQOLUKZRVURQ-AVQMFFATSA-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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,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 OYHQOLUKZRVURQ-AVQMFFATSA-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-BS003986
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (9E,12E)-octadeca-9,12-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75108 chebi
    LMFA01030123 lipidmaps
    CHEMBL93204 chembl
    120856 surechembl
    5282457 pubchem
    7552P0K6PN fdasrs
    PD020553 probes_and_drugs
    109345 brenda
    125586 brenda
    143013 brenda
    220312 brenda
    95231 brenda
    HMDB0006270 hmdb
    Molport-001-780-227 molport
    The data in this table is sourced from UniChem at EBI.