Dataset

4-BROMOPROPIOPHENONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003747 contains the MS mass spectrum of 4-BROMOPROPIOPHENONE with the InChIkey UOMOSYFPKGQIKI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
SMILES CCC(=O)c(c1)ccc(Br)c1
InChI Key UOMOSYFPKGQIKI-UHFFFAOYSA-N
Molecular Formula C9H9BrO
Exact Mass 211.984 g/mol

Data and Resources

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-JP003747
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:13.936770
MetadataModified 2024-01-11T15:57:14.092182
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10342-83-3 ACToR
SCHEMBL301100 SureChEMBL
15171969 PubChem: Thomson Pharma
66312 PubChem
535400 eMolecules
20199029 NMRShiftDB
MCULE-7498167967 Mcule
J45.208D Nikkaji
ZINC000000065216 ZINC
DTXSID10145830 EPA CompTox Dashboard
CB1297364 ChemicalBook
The data in this table is sourced from UniChem at EBI.