Dataset

10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS004006 contains the MS mass spectrum of 10E, 12Z-Linoleic acid with the InChIkey GKJZMAHZJGSBKD-NMMTYZSQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILES CCCCC/C=C\C=C\CCCCCCCCC(=O)O
InChI Key GKJZMAHZJGSBKD-NMMTYZSQSA-N
Molecular Formula C18H32O2
Exact Mass 280.240 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-BS004006
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (10E,12Z)-octadeca-10,12-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135248 Brenda
    89994 Brenda
    17847 Brenda
    ZINC000012504490 ZINC
    140916 Brenda
    68788 Brenda
    155374 Brenda
    136938 Brenda
    44526 ChEBI
    SCHEMBL1810737 SureChEMBL
    N151ZM4M27 FDA SRS
    5282800 PubChem
    60052527 NMRShiftDB
    14799657 PubChem: Thomson Pharma
    2420-56-6 ACToR
    PD006429 ProbesDrugs
    26755276 eMolecules
    DTXSID0040628 EPA CompTox Dashboard
    LMFA01030125 LipidMaps
    50394662 BindingDB
    HMDB0005048 Human Metabolome Database
    J604.212K Nikkaji
    CHEMBL1093743 ChEMBL
    ODD PDBe
    DB04746 DrugBank
    The data in this table is sourced from UniChem at EBI.