Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C6H9NO3S/c1-7-5-3-4-6(7)11(8,9)10-2/h3-5H,1-2H3
SMILES	COS(=O)(=O)c1cccn1C
InChI Key	XYWJLSFHHXZAQV-UHFFFAOYSA-N
Exact Mass	175.206 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Go to source

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XYWJLSFHHXZAQV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XYWJLSFHHXZAQV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.