Dataset

3'-BROMOACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011895 contains the MS mass spectrum of 3'-BROMOACETOPHENONE with the InChIkey JYAQYXOVOHJRCS-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
SMILES	CC(=O)c(c1)cc(Br)cc1
InChI Key	JYAQYXOVOHJRCS-UHFFFAOYSA-N
Molecular Formula	C8H7BrO
Exact Mass	197.968 g/mol

Data and Resources

3'-BROMOACETOPHENONEHTML

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Related Molecule ⌄

1-(3-bromophenyl)ethanone

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-JP011895
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	1-(3-bromophenyl)ethanone

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID40870941	EPA CompTox Dashboard
CHEMBL5271897	ChEMBL
ZINC000000167233	ZINC
J47.600E	Nikkaji
257472	Brenda
16947838	PubChem: Thomson Pharma
161902-50-7	ACToR
16502	PubChem
SCHEMBL3169	SureChEMBL
2142-63-4	ACToR
484279	eMolecules
133099	Brenda
CB5233225	ChemicalBook
221135	Brenda
210892	Brenda
MCULE-5176622974	Mcule
The data in this table is sourced from UniChem at EBI.