Dataset

Dihomo-alpha-linolenic acid (20:3(n-3)); LC-ESI-IT; MS2; m/z: 305.4; [M-H]-

This MassBank record with Accession MSBNK-Metabolon-MT000086 contains the MS2 mass spectrum of Dihomo-alpha-linolenic acid (20:3(n-3)) with the InChIkey AHANXAKGNAKFSK-PDBXOOCHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
SMILES CCC=CCC=CCC=CCCCCCCCCCC(O)=O
InChI Key AHANXAKGNAKFSK-PDBXOOCHSA-N
Molecular Formula C20H34O2
Exact Mass 306.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Metabolon-MT000086
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:53460 chebi
    LMFA01030378 lipidmaps
    CHEMBL453991 chembl
    25423 surechembl
    5312529 pubchem
    PD020548 probes_and_drugs
    166217 brenda
    190474 brenda
    207819 brenda
    220318 brenda
    69504 brenda
    7970 brenda
    8483 brenda
    96472 brenda
    HMDB0060039 hmdb
    Molport-009-018-848 molport
    50269535 bindingdb
    The data in this table is sourced from UniChem at EBI.