Dataset

2,4-Dihydroxybenzophenone; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU507609 contains the MS2 mass spectrum of 2,4-Dihydroxybenzophenone with the InChIkey ZXDDPOHVAMWLBH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
SMILES C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
InChI Key ZXDDPOHVAMWLBH-UHFFFAOYSA-N
Molecular Formula C13H10O3
Exact Mass 214.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU507609
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MetadataPublished 2021-04-20
Related Molecule
  • (2,4-dihydroxyphenyl)-phenylmethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD158995 ProbesDrugs
    LJ54R4Z029 FDA SRS
    15171997 PubChem: Thomson Pharma
    131-56-6 ACToR
    SCHEMBL39681 SureChEMBL
    120920-25-4 ACToR
    479942 eMolecules
    CB5475441 ChemicalBook
    174809 Brenda
    12127 Brenda
    CUT PDBe
    8572 PubChem
    MCULE-3025914301 Mcule
    C14215 KEGG Ligand
    CHEMBL1392 ChEMBL
    CB11263726 ChemicalBook
    BENZORESORCINOL rxnorm
    34240 ChEBI
    DTXSID8022406 EPA CompTox Dashboard
    51223 BindingDB
    J5.561A Nikkaji
    HMDB0240715 Human Metabolome Database
    DHXBZP CCDC
    ZINC000000225430 ZINC
    The data in this table is sourced from UniChem at EBI.