Dataset

DIMETHYL-2-METHYL SUCCINATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002908 contains the MS mass spectrum of DIMETHYL-2-METHYL SUCCINATE with the InChIkey NFOQJNGQQXICBY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
SMILES COC(=O)CC(C)C(=O)OC
InChI Key NFOQJNGQQXICBY-UHFFFAOYSA-N
Molecular Formula C7H12O4
Exact Mass 160.074 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-JP002908
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • dimethyl 2-methylbutanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    485856 eMolecules
    15350 PubChem
    15363879 PubChem: Thomson Pharma
    1604-11-1 ACToR
    SCHEMBL186433 SureChEMBL
    CB0436931 ChemicalBook
    J569J Nikkaji
    DTXSID10870892 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.