Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C5H4BrNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES	[O-][n+]1ccc(cc1)Br
InChI Key	ZRXLKDCFWJECNO-UHFFFAOYSA-N
Molecular Formula	C5H4BrNO
Exact Mass	173.995 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass.1
Version
Author	Hannes Kühner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:52:09.418285
MetadataModified	2024-09-07T14:46:26.421798
MetadataPublished	2019-02-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL307778	SureChEMBL
MolPort-000-875-539	MolPort
J702.063E	Nikkaji
CB21175837	ChemicalBook
DTXSID60162057	EPA CompTox Dashboard
ZINC000000051190	ZINC
16496151	PubChem: Thomson Pharma
14248-50-1	ACToR
139708	PubChem
31485719	eMolecules
The data in this table is sourced from UniChem at EBI.