Dataset

9-KODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-

This MassBank record with Accession MSBNK-Chubu_Univ-UT000273 contains the MS2 mass spectrum of 9-KODE with the InChIkey LUZSWWYKKLTDHU-SIGMCMEVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,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 LUZSWWYKKLTDHU-SIGMCMEVSA-N
Molecular Formula C18H30O3
Exact Mass 294.219 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-UT000273
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (10E,12E)-9-oxooctadeca-10,12-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL465240 ChEMBL
    J834.677A Nikkaji
    J767.169E Nikkaji
    LMFA02000251 LipidMaps
    5283011 PubChem
    60058219 NMRShiftDB
    14873516 PubChem: Thomson Pharma
    54665-32-6 ACToR
    72843 ChEBI
    PD018777 ProbesDrugs
    SCHEMBL1234585 SureChEMBL
    MTBLC72843 Metabolights
    ZINC000005523704 ZINC
    The data in this table is sourced from UniChem at EBI.