Dataset

METHYL EICOSANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009251 contains the MS mass spectrum of METHYL EICOSANOATE with the InChIkey QGBRLVONZXHAKJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key QGBRLVONZXHAKJ-UHFFFAOYSA-N
Molecular Formula C21H42O2
Exact Mass 326.318 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-JP009251
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MetadataPublished 2016-01-19
Related Molecule
  • methyl icosanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    143582 ChEBI
    CB0123455 ChemicalBook
    0ZH75194U0 FDA SRS
    MCULE-1741761685 Mcule
    119218 Brenda
    ZINC000070455484 ZINC
    DTXSID2061515 EPA CompTox Dashboard
    DINLER CCDC
    J561D Nikkaji
    SCHEMBL586921 SureChEMBL
    1120-28-1 ACToR
    PD099193 ProbesDrugs
    60018622 NMRShiftDB
    16013226 PubChem: Thomson Pharma
    14259 PubChem
    478480 eMolecules
    The data in this table is sourced from UniChem at EBI.