Dataset

DIETHYL FUMARATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004045 contains the MS mass spectrum of DIETHYL FUMARATE with the InChIkey IEPRKVQEAMIZSS-AATRIKPKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
SMILES CCOC(=O)C=CC(=O)OCC
InChI Key IEPRKVQEAMIZSS-AATRIKPKSA-N
Molecular Formula C8H12O4
Exact Mass 172.074 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-JP004045
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • diethyl (E)-but-2-enedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:87388 chebi
    CHEMBL3187857 chembl
    42602 surechembl
    638144 pubchem
    5WBU5A3E8A fdasrs
    PD158270 probes_and_drugs
    CIGLAG CCDC
    Molport-003-934-342 molport
    The data in this table is sourced from UniChem at EBI.