Dataset

(Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005349 contains the MS mass spectrum of (Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER with the InChIkey WTTJVINHCBCLGX-NQLNTKRDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
SMILES CCCCCC([H])=C([H])CC([H])=C([H])CCCCCCCC(=O)OC
InChI Key WTTJVINHCBCLGX-NQLNTKRDSA-N
Molecular Formula C19H34O2
Exact Mass 294.256 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-Fac_Eng_Univ_Tokyo-JP005349
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl (9Z,12Z)-octadeca-9,12-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    524844 eMolecules
    60019155 NMRShiftDB
    24N6726DE5 FDA SRS
    14893805 PubChem: Thomson Pharma
    PD098321 ProbesDrugs
    SLM:000389690 SwissLipids
    69080 Rhea
    HMDB0034381 Human Metabolome Database
    32669 Brenda
    164467 Brenda
    139291 Brenda
    20777 Brenda
    MTBLC69080 Metabolights
    ZINC000004501378 ZINC
    J1.998D Nikkaji
    DTXSID7020843 EPA CompTox Dashboard
    CHEMBL3183866 ChEMBL
    MCULE-1089286417 Mcule
    69080 ChEBI
    HY-N1481 MedChemExpress
    5284421 PubChem
    SCHEMBL56345 SureChEMBL
    The data in this table is sourced from UniChem at EBI.