Dataset

ETHYLMALONIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011259 contains the MS mass spectrum of ETHYLMALONIC ACID with the InChIkey UKFXDFUAPNAMPJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
SMILES CCC(C(O)=O)C(O)=O
InChI Key UKFXDFUAPNAMPJ-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-JP011259
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-ethylpropanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11756 PubChem
    432NF49DFG FDA SRS
    SCHEMBL107241 SureChEMBL
    19794 NMRShiftDB
    MCULE-3288957588 Mcule
    CB1782664 ChemicalBook
    135613 Brenda
    HMDB0000622 Human Metabolome Database
    MTBLC741548 Metabolights
    475881 eMolecules
    601-75-2 ACToR
    PD100885 ProbesDrugs
    CHEMBL1160009 ChEMBL
    741548 ChEBI
    AMALOQ CCDC
    J134.569I Nikkaji
    ZINC000000388046 ZINC
    LMFA01170105 LipidMaps
    DTXSID00208842 EPA CompTox Dashboard
    HY-34740 MedChemExpress
    The data in this table is sourced from UniChem at EBI.