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
Language
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
    HY-W009884 MedChemExpress
    AJEVUH CCDC
    ZINC000000156899 ZINC
    J55.026D Nikkaji
    DTXSID2062454 EPA CompTox Dashboard
    C10664 KEGG Ligand
    CHEMBL224146 ChEMBL
    2404 ChEBI
    MTBLC2404 Metabolights
    175056 Brenda
    90137 Brenda
    16488 Brenda
    CB8408295 ChemicalBook
    219590 Brenda
    866P45Y84S FDA SRS
    20040772 NMRShiftDB
    MCULE-7881518363 Mcule
    17198 PubChem
    PD001995 ProbesDrugs
    15017715 PubChem: Thomson Pharma
    SCHEMBL15511 SureChEMBL
    2478-38-8 ACToR
    LSM-25648 LINCS
    503607 eMolecules
    The data in this table is sourced from UniChem at EBI.