Dataset

4-Phenyl-3-buten-2-one

This MassBank record with Accession MSBNK-NaToxAq-NA000930 contains the MS2 mass spectrum of 4-Phenyl-3-buten-2-one with the InChIkey BWHOZHOGCMHOBV-BQYQJAHWSA-N.

Chemical Info

InChI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
SMILES	CC(=O)\C=C\C1=CC=CC=C1
InChI Key	BWHOZHOGCMHOBV-BQYQJAHWSA-N
Molecular Formula	C10H10O
Exact Mass	146.073 g/mol

Data and Resources

4-Phenyl-3-buten-2-oneHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000930
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:15:53.950377
MetadataModified	2025-02-09T17:11:35.604144
MetadataPublished	2019-07-31

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
224493	Brenda
218065	Brenda
DTXSID1031626	EPA CompTox Dashboard
DIBNEH	CCDC
J80.339A	Nikkaji
107398	Brenda
J5.357K	Nikkaji
40001873	NMRShiftDB
HY-W012595	MedChemExpress
CHEMBL73639	ChEMBL
CB6119481	ChemicalBook
CB3119480	ChemicalBook
HMDB0031617	Human Metabolome Database
170408	Brenda
144969	Brenda
127946	Brenda
21549	Brenda
113053	Brenda
198036	Brenda
MTBLC78399	Metabolights
ZINC000019230125	ZINC
78399	ChEBI
30001041	NMRShiftDB
MCULE-4879858540	Mcule
479442	eMolecules
637759	PubChem
PD158292	ProbesDrugs
B03X40BMT5	FDA SRS
15194658	PubChem: Thomson Pharma
1896-62-4	ACToR
122-57-6	ACToR
SCHEMBL76632	SureChEMBL
The data in this table is sourced from UniChem at EBI.