Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H12OS2/c1-7(3-4-8(2)10)9-11-5-6-12-9/h3-4H,5-6H2,1-2H3/b4-3+
SMILES	CC(=C1SCCS1)/C=C/C(=O)C
InChI Key	LDGXSBDCBZHQOU-ONEGZZNKSA-N
Molecular Formula	C9H12OS2
Exact Mass	200.321 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/LDGXSBDCBZHQOU-ONEGZZNKSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/LDGXSBDCBZHQOU-ONEGZZNKSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:26:06.481270
MetadataModified	2024-09-07T14:23:39.940416
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083270	PubChem
The data in this table is sourced from UniChem at EBI.