Dataset

9-HODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-

This MassBank record with Accession MSBNK-Chubu_Univ-UT000236 contains the MS2 mass spectrum of 9-HODE with the InChIkey NPDSHTNEKLQQIJ-ZJHFMPGASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O
InChI Key NPDSHTNEKLQQIJ-ZJHFMPGASA-N
Molecular Formula C18H32O3
Exact Mass 296.235 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-Chubu_Univ-UT000236
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MetadataPublished 2016-01-19
Related Molecule
  • (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:72651 chebi
    LMFA02000151 lipidmaps
    CHEMBL1077284 chembl
    122671 surechembl
    5282944 pubchem
    XL87KT7C6Z fdasrs
    PD020956 probes_and_drugs
    171734 brenda
    190824 brenda
    191326 brenda
    191375 brenda
    HMDB0062652 hmdb
    50389675 bindingdb
    The data in this table is sourced from UniChem at EBI.