Dataset

Benzophenone

This MassBank record with Accession MSBNK-UFZ-UA001503 contains the MS2 mass spectrum of Benzophenone with the InChIkey RWCCWEUUXYIKHB-UHFFFAOYSA-N.

Chemical Info

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-UA001503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:53:22.023281
MetadataModified 2025-02-09T19:48:33.097546
MetadataPublished 2014-06-24
Related Molecule
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.