Dataset

y-Linolenic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003973 contains the MS2 mass spectrum of y-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 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]
InChI Key VZCCETWTMQHEPK-QNEBEIHSSA-N
Molecular Formula C18H30O2
Exact Mass 278.225 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-BS003973
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
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
    No additional information available for this Dataset.