Dataset

METHYL DOCOSANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009253 contains the MS mass spectrum of METHYL DOCOSANOATE with the InChIkey QSQLTHHMFHEFIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI Key QSQLTHHMFHEFIY-UHFFFAOYSA-N
Molecular Formula C23H46O2
Exact Mass 354.350 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-JP009253
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MetadataPublished 2016-01-19
Related Molecule
  • methyl docosanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:143586 chebi
    24669 surechembl
    13584 pubchem
    04KBO9R771 fdasrs
    PD196651 probes_and_drugs
    Molport-003-926-065 molport
    The data in this table is sourced from UniChem at EBI.