Dataset

Oleic acid; GC-EI-TOF; MS; 1 TMS; BP:73

This MassBank record with Accession MSBNK-RIKEN-PR010209 contains the MS mass spectrum of Oleic acid with the InChIkey ZQPPMHVWECSIRJ-KTKRTIGZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
SMILES CCCCCCCCC=CCCCCCCCC(O)=O
InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Molecular Formula C18H34O2
Exact Mass 282.256 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-RIKEN-PR010209
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (Z)-octadec-9-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:16196 chebi
    LMFA01030002 lipidmaps
    OLA rcsb_pdb
    OLI rcsb_pdb
    CHEMBL8659 chembl
    1138 surechembl
    445639 pubchem
    2UMI9U37CP fdasrs
    PD011439 probes_and_drugs
    OLECAC CCDC
    108791 brenda
    121942 brenda
    183037 brenda
    186131 brenda
    195593 brenda
    202740 brenda
    20918 brenda
    34805 brenda
    380 brenda
    488 brenda
    48915 brenda
    HMDB0000207 hmdb
    Molport-001-788-274 molport
    3400 drugcentral
    50150484 bindingdb
    The data in this table is sourced from UniChem at EBI.