Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3
SMILES	[O-][N+](=O)c1cc(O)c(cc1C)Br
InChI Key	UNDCYNWWVCTFES-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3
Exact Mass	232.031 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/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:25:47.842303
MetadataModified	2024-09-08T01:25:47.842308
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MolPort-032-663-257	MolPort
SCHEMBL9867327	SureChEMBL
13884685	PubChem
DTXSID90551859	EPA CompTox Dashboard
ZINC000034175002	ZINC
The data in this table is sourced from UniChem at EBI.