Dataset

Behenic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003887 contains the MS2 mass spectrum of Behenic acid with the InChIkey UKMSUNONTOPOIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
SMILES C(C(C(C(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])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key UKMSUNONTOPOIO-UHFFFAOYSA-N
Molecular Formula C22H44O2
Exact Mass 340.334 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-BS003887
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • docosanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28941 chebi
    LMFA01010022 lipidmaps
    EO3 rcsb_pdb
    CHEMBL1173474 chembl
    6579 surechembl
    8215 pubchem
    H390488X0A fdasrs
    PD020790 probes_and_drugs
    ZZZOLM CCDC
    190457 brenda
    195432 brenda
    9426 brenda
    HMDB0000944 hmdb
    Molport-000-715-762 molport
    3855 drugcentral
    50488776 bindingdb
    The data in this table is sourced from UniChem at EBI.