Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H7BrO3/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3,10-11H,4H2
SMILES BrCC(=O)c1c(O)cccc1O
InChI Key NDRBKOJQTCWMGZ-UHFFFAOYSA-N
Molecular Formula C8H7BrO3
Exact Mass 231.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDRBKOJQTCWMGZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NDRBKOJQTCWMGZ-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-30
Related Molecule
  • 2-bromo-1-(2,6-dihydroxyphenyl)ethanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000002511019 ZINC
    53416597 PubChem
    The data in this table is sourced from UniChem at EBI.