Dataset

METHYL 3-OXOHEXADECANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006706 contains the MS mass spectrum of METHYL 3-OXOHEXADECANOATE with the InChIkey OEEDRMFBAHHVQI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h3-15H2,1-2H3
SMILES CCCCCCCCCCCCCC(=O)CC(=O)OC
InChI Key OEEDRMFBAHHVQI-UHFFFAOYSA-N
Molecular Formula C17H32O3
Exact Mass 284.235 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-JP006706
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-oxohexadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3187580 surechembl
    84430 pubchem
    U864V86N9H fdasrs
    DTXSID50162662 comptox
    Molport-003-912-050 molport
    The data in this table is sourced from UniChem at EBI.