Dataset

DIMETHYL ISOPHTHALATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003304 contains the MS mass spectrum of DIMETHYL ISOPHTHALATE with the InChIkey VNGOYPQMJFJDLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
SMILES COC(=O)c(c1)cc(cc1)C(=O)OC
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.058 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-JP003304
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dimethyl benzene-1,3-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2010300 chembl
    34953 surechembl
    15088 pubchem
    2UY9Y3574K fdasrs
    GOHRUS CCDC
    151192 brenda
    259522 brenda
    Molport-001-625-008 molport
    The data in this table is sourced from UniChem at EBI.