Dataset

Eicosatrienoic acid; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01142702 contains the MS2 mass spectrum of Eicosatrienoic acid with the InChIkey AHANXAKGNAKFSK-UHFFFAOYSA-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)
SMILES CCC=CCC=CCC=CCCCCCCCCCC(=O)O
InChI Key AHANXAKGNAKFSK-UHFFFAOYSA-N
Molecular Formula C20H34O2
Exact Mass 306.256 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-Eawag-EQ01142702
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MetadataPublished 2023-08-10
Related Molecule
  • icosa-11,14,17-trienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:93118 chebi
    541773 surechembl
    3210 pubchem
    PD093707 probes_and_drugs
    HMDB0244373 hmdb
    Molport-051-435-083 molport
    The data in this table is sourced from UniChem at EBI.