Dataset

2-BUTANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008197 contains the MS mass spectrum of 2-BUTANONE with the InChIkey ZWEHNKRNPOVVGH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
SMILES CCC(C)=O
InChI Key ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Molecular Formula C4H8O
Exact Mass 72.058 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-JP008197
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • butan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28398 chebi
    LMFA12000043 lipidmaps
    CHEMBL15849 chembl
    11170783 surechembl
    1310 surechembl
    1510153 surechembl
    6569 pubchem
    6PT9KLV9IO fdasrs
    PD160312 probes_and_drugs
    108277 brenda
    1171 brenda
    183127 brenda
    183152 brenda
    20677 brenda
    260264 brenda
    3330 brenda
    3620 brenda
    44416 brenda
    HMDB0000474 hmdb
    The data in this table is sourced from UniChem at EBI.