Dataset

Arachidic acid; LC-ESI-QTOF; MS2; CE: 100; [M-H]-

This MassBank record with Accession MSBNK-mFam-MC10_000609 contains the MS2 mass spectrum of Arachidic acid with the InChIkey VKOBVWXKNCXXDE-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
SMILES CCCCCCCCCCCCCCCCCCCC(=O)O
InChI Key VKOBVWXKNCXXDE-UHFFFAOYSA-N
Molecular Formula C20H40O2
Exact Mass 312.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC10_000609
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Maintainer
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MetadataPublished 2023-02-06
Related Molecule
  • icosanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28822 chebi
    LMFA01010020 lipidmaps
    DCR rcsb_pdb
    CHEMBL1173381 chembl
    6539 surechembl
    10467 pubchem
    PQB8MJD4RB fdasrs
    PD020789 probes_and_drugs
    SUGYEZ CCDC
    13148 brenda
    164215 brenda
    165138 brenda
    181814 brenda
    52533 brenda
    8315 brenda
    DCR pdbe
    HMDB0002212 hmdb
    DTXSID1060134 comptox
    FDB004028 foodb
    Molport-002-534-221 molport
    50463966 bindingdb
    The data in this table is sourced from UniChem at EBI.