Dataset

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

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010732 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-JP010732
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
    DTXSID40351684 EPA CompTox Dashboard
    ZINC000000093665 ZINC
    J47.712E Nikkaji
    NEQDIY CCDC
    CB6153764 ChemicalBook
    706870 PubChem
    16569907 PubChem: Thomson Pharma
    SCHEMBL3661837 SureChEMBL
    20628-06-2 ACToR
    539462 eMolecules
    MCULE-8919794743 Mcule
    20208053 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.