Dataset

Succinic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+

This MassBank record with Accession MSBNK-MSSJ-MSJ00729 contains the MS2 mass spectrum of Succinic acid-[1,2,3,4-13C4] with the InChIkey KDYFGRWQOYBRFD-JCDJMFQYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
SMILES OC(=O)CCC(O)=O
InChI Key KDYFGRWQOYBRFD-JCDJMFQYSA-N
Molecular Formula C4H6O4
Exact Mass 118.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ00729
Version
Author
Maintainer
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MetadataPublished 2021-10-13
Related Molecule
  • (1,2,3,4-13C4)butanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1331252 SureChEMBL
    29536196 eMolecules
    DTXSID10584023 EPA CompTox Dashboard
    16213533 PubChem
    The data in this table is sourced from UniChem at EBI.