Dataset

DIMETHYL MALONATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009002 contains the MS mass spectrum of DIMETHYL MALONATE with the InChIkey BEPAFCGSDWSTEL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
SMILES COC(=O)CC(=O)OC
InChI Key BEPAFCGSDWSTEL-UHFFFAOYSA-N
Molecular Formula C5H8O4
Exact Mass 132.042 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-JP009002
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dimethyl propanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10008698 NMRShiftDB
    MCULE-1727448163 Mcule
    7943 PubChem
    J1.499K Nikkaji
    HMDB0251386 Human Metabolome Database
    SCHEMBL53913 SureChEMBL
    15321379 PubChem: Thomson Pharma
    108-59-8 ACToR
    CHEMBL1986332 ChEMBL
    EM8Y79998C FDA SRS
    481107 eMolecules
    PD159026 ProbesDrugs
    CB3776436 ChemicalBook
    21586 Brenda
    DTXSID4029145 EPA CompTox Dashboard
    60531 Brenda
    ZINC000000388229 ZINC
    The data in this table is sourced from UniChem at EBI.