Dataset

5-OxoETE-[d7]; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-

This MassBank record with Accession MSBNK-ISAS_Dortmund-IA000002 contains the MS2 mass spectrum of 5-OxoETE-[d7] with the InChIkey MEASLHGILYBXFO-XTDASVJISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
SMILES CCCCC\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(O)=O
InChI Key MEASLHGILYBXFO-XTDASVJISA-N
Molecular Formula C20H30O3
Exact Mass 318.219 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-ISAS_Dortmund-IA000002
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MetadataPublished 2018-11-21
Related Molecule
  • (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMFA03060011 lipidmaps
    CHEMBL18028 chembl
    139762 surechembl
    5283159 pubchem
    CHEBI:52449 chebi
    HMDB0010217 hmdb
    DTXSID601017276 comptox
    Molport-023-276-216 molport
    The data in this table is sourced from UniChem at EBI.