Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6Br2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3
SMILES CC(=O)c1c(O)c(Br)cc(c1O)Br
InChI Key GHPWLLSLLWHDPT-UHFFFAOYSA-N
Molecular Formula C8H6Br2O3
Exact Mass 309.939 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:36:10.561659
MetadataModified 2024-09-08T04:36:10.561666
MetadataPublished 2024-08-30
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5314959 PubChem
CHEMBL3274348 ChEMBL
The data in this table is sourced from UniChem at EBI.