Dataset

Methyl octadecanoate, Stearic acid methyl ester, methyl stearate; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS049401 contains the MS2 mass spectrum of Methyl octadecanoate, Stearic acid methyl ester, methyl stearate with the InChIkey HPEUJPJOZXNMSJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OC
InChI Key HPEUJPJOZXNMSJ-UHFFFAOYSA-N
Molecular Formula C19H38O2
Exact Mass 298.511 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS049401
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • methyl octadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:69188 chebi
    LMFA07010474 lipidmaps
    39262 surechembl
    8201 pubchem
    8D4NXF3ZH7 fdasrs
    PD044236 probes_and_drugs
    MSTEAR CCDC
    184874 brenda
    49203 brenda
    HMDB0034154 hmdb
    Molport-001-783-396 molport
    The data in this table is sourced from UniChem at EBI.