Dataset

2-HYDROXY-4,5-DIMETHOXYACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000537 contains the MS mass spectrum of 2-HYDROXY-4,5-DIMETHOXYACETOPHENONE with the InChIkey KEQHBVWVKYHDCS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
SMILES COc(c1)c(OC)cc(C(C)=O)c(O)1
InChI Key KEQHBVWVKYHDCS-UHFFFAOYSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 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-JP000537
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1338374 chembl
    30398255 surechembl
    3661837 surechembl
    706870 pubchem
    NEQDIY CCDC
    Molport-001-537-601 molport
    The data in this table is sourced from UniChem at EBI.