Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H10O3S/c1-12-13(10,11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
SMILES	COS(=O)(=O)/C=C/c1ccccc1
InChI Key	FSMDHYUPDKNFEI-BQYQJAHWSA-N
Molecular Formula	C9H10O3S
Exact Mass	198.239 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FSMDHYUPDKNFEI-BQYQJAHWSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FSMDHYUPDKNFEI-BQYQJAHWSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:13:09.383799
MetadataModified	2025-01-29T16:06:22.081009
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12549386	PubChem
SCHEMBL2776611	SureChEMBL
The data in this table is sourced from UniChem at EBI.