Dataset

1,3-DIPHENYL-1,3-PROPANEDIONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011094 contains the MS mass spectrum of 1,3-DIPHENYL-1,3-PROPANEDIONE with the InChIkey NZZIMKJIVMHWJC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
SMILES	O=C(CC(=O)c(c2)cccc2)c(c1)cccc1
InChI Key	NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula	C15H12O2
Exact Mass	224.084 g/mol

Data and Resources

1,3-DIPHENYL-1,3-PROPANEDIONEHTML
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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-JP011094
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:35.289039
MetadataModified	2024-01-11T15:55:35.439712
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-6320643310	Mcule
8433	PubChem
75417	ChEBI
15172234	PubChem: Thomson Pharma
SCHEMBL39582	SureChEMBL
120-46-7	ACToR
LSM-2003	LINCS
ANS7ME8OKC	FDA SRS
PD000949	ProbesDrugs
60024280	NMRShiftDB
498768	eMolecules
MTBLC75417	Metabolights
CB7175433	ChemicalBook
217249	Brenda
DTXSID3041247	EPA CompTox Dashboard
ZINC000004530702	ZINC
DIBENZOYLMETHANE	clinicaltrials
HY-W009731	MedChemExpress
22727	BindingDB
HMDB0251166	Human Metabolome Database
XEHVEO	CCDC
J10.072B	Nikkaji
CHEMBL371523	ChEMBL
The data in this table is sourced from UniChem at EBI.