Dataset

ACETIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004273 contains the MS mass spectrum of ACETIC ACID METHYL ESTER with the InChIkey KXKVLQRXCPHEJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES COC(C)=O
InChI Key KXKVLQRXCPHEJC-UHFFFAOYSA-N
Molecular Formula C3H6O2
Exact Mass 74.037 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-JP004273
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:77700 chebi
    CHEMBL14079 chembl
    3080739 surechembl
    3650 surechembl
    6584 pubchem
    W684QT396F fdasrs
    179811 brenda
    181931 brenda
    6688 brenda
    HMDB0031523 hmdb
    Molport-001-783-796 molport
    The data in this table is sourced from UniChem at EBI.