Dataset

Benzophenone; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA001501 contains the MS2 mass spectrum of Benzophenone with the InChIkey RWCCWEUUXYIKHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
SMILES O=C(c1ccccc1)c2ccccc2
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
Exact Mass 182.073 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-UFZ-UA001501
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Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • diphenylmethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3102 PubChem
    PD009431 ProbesDrugs
    701M4TTV9O FDA SRS
    119-61-9 ACToR
    15147353 PubChem: Thomson Pharma
    480157 eMolecules
    MTBLC41308 Metabolights
    HMDB0032049 Human Metabolome Database
    7654 Brenda
    CB5744679 ChemicalBook
    41308 ChEBI
    SCHEMBL17745 SureChEMBL
    10005796 NMRShiftDB
    MCULE-7496069620 Mcule
    DB01878 DrugBank
    CHEMBL90039 ChEMBL
    C06354 KEGG Ligand
    BZQ PDBe
    BPHENO CCDC
    J2.481C Nikkaji
    ZINC000000968233 ZINC
    DTXSID0021961 EPA CompTox Dashboard
    HY-Y0546 MedChemExpress
    BENZOPHENONE rxnorm
    41308 Rhea
    22726 BindingDB
    The data in this table is sourced from UniChem at EBI.