Dataset

Linolenic acid; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81605 contains the MS mass spectrum of Linolenic acid with the InChIkey DTOSIQBPPRVQHS-UHFFFAOYSA-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/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)
SMILES CCC=CCC=CCC=CCCCCCCCC(=O)O
InChI Key DTOSIQBPPRVQHS-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81605
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • octadeca-9,12,15-trienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID7075058 EPA CompTox Dashboard
    CHEMBL3560296 ChEMBL
    92583 ChEBI
    HMDB0030964 Human Metabolome Database
    LINENA CCDC
    561341 eMolecules
    MCULE-8042162865 Mcule
    PD013580 ProbesDrugs
    860 PubChem
    The data in this table is sourced from UniChem at EBI.