Dataset

1,3-DIPHENYL-2-PROPEN-1-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005267 contains the MS mass spectrum of 1,3-DIPHENYL-2-PROPEN-1-ONE with the InChIkey DQFBYFPFKXHELB-VAWYXSNFSA-N.

Chemical Info

InChI	InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
SMILES	O=C(C=Cc(c2)cccc2)c(c1)cccc1
InChI Key	DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula	C15H12O
Exact Mass	208.089 g/mol

Data and Resources

1,3-DIPHENYL-2-PROPEN-1-ONEHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005267
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:34.520847
MetadataModified	2024-01-11T15:56:34.691987
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C01484	KEGG Ligand
CHEMBL7976	ChEMBL
48965	ChEBI
C15589	KEGG Ligand
479448	eMolecules
29143	BindingDB
HY-121054	MedChemExpress
DTXSID20873536	EPA CompTox Dashboard
CB0746254	ChemicalBook
68884	Brenda
ZINC000038139289	ZINC
69368	Brenda
MTBLC48965	Metabolights
HMDB0003066	Human Metabolome Database
CB7746253	ChemicalBook
3804	Brenda
107399	Brenda
J151.129G	Nikkaji
BZYACO	CCDC
J4.699J	Nikkaji
MCULE-3405447576	Mcule
16936955	PubChem: Thomson Pharma
637760	PubChem
60030789	NMRShiftDB
PD087238	ProbesDrugs
94-41-7	ACToR
614-47-1	ACToR
SCHEMBL27580	SureChEMBL
5S5A2Q39HX	FDA SRS
The data in this table is sourced from UniChem at EBI.