Dataset

DIETHYL MALEATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002110 contains the MS mass spectrum of DIETHYL MALEATE with the InChIkey IEPRKVQEAMIZSS-WAYWQWQTSA-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-WAYWQWQTSA-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-JP002110
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • diethyl (Z)-but-2-enedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    525243 eMolecules
    15165198 PubChem: Thomson Pharma
    68508 ChEBI
    CHEMBL2037000 ChEMBL
    G81WQB56OL FDA SRS
    PD088336 ProbesDrugs
    SCHEMBL60423 SureChEMBL
    10007821 NMRShiftDB
    J5.802E Nikkaji
    HMDB0038601 Human Metabolome Database
    ZINC000100004207 ZINC
    DTXSID8020464 EPA CompTox Dashboard
    5271566 PubChem
    The data in this table is sourced from UniChem at EBI.