Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H14O4S/c1-13-8(10)2-3-14(11,12)9-4-7(5-9)6-9/h7H,2-6H2,1H3
SMILES	COC(=O)CCS(=O)(=O)C12CC(C1)C2
InChI Key	XBSQKZAIFINLLA-UHFFFAOYSA-N
Molecular Formula	C9H14O4S
Exact Mass	218.270 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XBSQKZAIFINLLA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XBSQKZAIFINLLA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:12:45.074003
MetadataModified	2024-09-07T16:42:16.181286
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926352	PubChem
The data in this table is sourced from UniChem at EBI.