Dataset

DIMETHYL SUCCINATE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006086 contains the MS mass spectrum of DIMETHYL SUCCINATE with the InChIkey MUXOBHXGJLMRAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
SMILES COC(=O)CCC(=O)OC
InChI Key MUXOBHXGJLMRAB-UHFFFAOYSA-N
Molecular Formula C6H10O4
Exact Mass 146.058 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-JP006086
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dimethyl butanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DIMETHYL SUCCINATE rxnorm
    165393 ChEBI
    VEBYEG CCDC
    ZINC000001683870 ZINC
    J3.244A Nikkaji
    DTXSID5025152 EPA CompTox Dashboard
    CHEMBL556489 ChEMBL
    10016853 NMRShiftDB
    MCULE-1133524094 Mcule
    SCHEMBL10213 SureChEMBL
    16569 Brenda
    CB9230712 ChemicalBook
    9HB PDBe
    166888 Brenda
    HMDB0033837 Human Metabolome Database
    15847 Brenda
    478821 eMolecules
    15165145 PubChem: Thomson Pharma
    914I2127JR FDA SRS
    106-65-0 ACToR
    7820 PubChem
    The data in this table is sourced from UniChem at EBI.