Dataset

3,5-Dimethoxy-4-hydroxyacetophenone; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003072 contains the MS mass spectrum of 3,5-Dimethoxy-4-hydroxyacetophenone with the InChIkey OJOBTAOGJIWAGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
SMILES C(C(=O)C1=C(C(=C(C(=C1[H])OC([H])([H])[H])O[H])OC([H])([H])[H])[H])([H])([H])[H]
InChI Key OJOBTAOGJIWAGB-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-BS-BS003072
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:2404 chebi
    CHEMBL224146 chembl
    15511 surechembl
    17198 pubchem
    866P45Y84S fdasrs
    PD001995 probes_and_drugs
    AJEVUH CCDC
    16488 brenda
    175056 brenda
    219590 brenda
    90137 brenda
    Molport-001-759-184 molport
    The data in this table is sourced from UniChem at EBI.