Dataset

ACETIC ACID ETHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001797 contains the MS mass spectrum of ACETIC ACID ETHYL ESTER with the InChIkey XEKOWRVHYACXOJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
SMILES CCOC(C)=O
InChI Key XEKOWRVHYACXOJ-UHFFFAOYSA-N
Molecular Formula C4H8O2
Exact Mass 88.052 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-JP001797
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • ethyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27750 chebi
    EEE rcsb_pdb
    CHEMBL14152 chembl
    155 surechembl
    8857 pubchem
    76845O8NMZ fdasrs
    PD202235 probes_and_drugs
    20264 brenda
    2738 brenda
    276083 brenda
    96071 brenda
    HMDB0031217 hmdb
    50431235 bindingdb
    Molport-000-871-940 molport
    The data in this table is sourced from UniChem at EBI.