Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C6H8O4S2/c1-9-5-3-4-6(11-5)12(7,8)10-2/h3-4H,1-2H3
SMILES COc1ccc(s1)S(=O)(=O)OC
InChI Key UJCGNKLVRQYSIX-UHFFFAOYSA-N
Exact Mass 208.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UJCGNKLVRQYSIX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/UJCGNKLVRQYSIX-UHFFFAOYSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
  • nfdi4chem-mol9921 (Unknown Molecule)
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177807897 pubchem
    The data in this table is sourced from UniChem at EBI.