Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.14272/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-13
Related Molecule
  • 4-bromo-1-oxidopyridin-1-ium
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    307778 surechembl
    139708 pubchem
    Molport-000-875-539 molport
    The data in this table is sourced from UniChem at EBI.