Dataset

Benzophenone

This MassBank record with Accession MSBNK-Eawag-EQ01151607 contains the MS2 mass spectrum of Benzophenone with the InChIkey RWCCWEUUXYIKHB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula	C13H10O
Exact Mass	182.073 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01151607
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:07:50.658972
MetadataModified	2025-02-09T10:07:50.855955
MetadataPublished	2024-05-08
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.