Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H14OS2/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h7-8H,1-6H2
SMILES	O=C1CCCC(C1)C=C1SCCS1
InChI Key	SGGJGNOFBJFXPU-UHFFFAOYSA-N
Molecular Formula	C10H14OS2
Exact Mass	214.348 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/SGGJGNOFBJFXPU-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/SGGJGNOFBJFXPU-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:38:12.114796
MetadataModified	2024-09-07T14:26:30.119352
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083282	PubChem
The data in this table is sourced from UniChem at EBI.