Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H7BrO3/c1-4(10)7-6(11)3-2-5(9)8(7)12/h2-3,11-12H,1H3
SMILES	CC(=O)c1c(O)ccc(c1O)Br
InChI Key	MZSDKOBKEFEBJF-UHFFFAOYSA-N
Molecular Formula	C8H7BrO3
Exact Mass	231.043 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:35:37.547859
MetadataModified	2024-09-08T04:35:37.547864
MetadataPublished	2024-08-30

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL9753563	SureChEMBL
5314954	PubChem
The data in this table is sourced from UniChem at EBI.