Dataset

2,3,4-Trihydroxybenzophenone; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094145 contains the MS2 mass spectrum of 2,3,4-Trihydroxybenzophenone with the InChIkey HTQNYBBTZSBWKL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
SMILES Oc1ccc(c(O)c1O)C(=O)c2ccccc2
InChI Key HTQNYBBTZSBWKL-UHFFFAOYSA-N
Molecular Formula C13H10O4
Exact Mass 230.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094145
Version
Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • phenyl-(2,3,4-trihydroxyphenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5228555 ChemicalBook
    CUH PDBe
    MCULE-4981963513 Mcule
    20041101 NMRShiftDB
    8FBX2Q800V FDA SRS
    70837 PubChem
    15043898 PubChem: Thomson Pharma
    MTBLC176813 Metabolights
    1143-72-2 ACToR
    SCHEMBL93423 SureChEMBL
    492820 eMolecules
    176813 ChEBI
    DTXSID6037728 EPA CompTox Dashboard
    50234650 BindingDB
    J7.279F Nikkaji
    HMDB0245424 Human Metabolome Database
    CUBBIL CCDC
    ZINC000000225866 ZINC
    CHEMBL1527 ChEMBL
    The data in this table is sourced from UniChem at EBI.