Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H16OS2/c1-3-9(11)6-8(2)7-10-12-4-5-13-10/h7-8H,3-6H2,1-2H3
SMILES	CCC(=O)CC(C=C1SCCS1)C
InChI Key	UAXCQPMMEQTBAO-UHFFFAOYSA-N
Molecular Formula	C10H16OS2
Exact Mass	216.363 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/UAXCQPMMEQTBAO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/UAXCQPMMEQTBAO-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:03.976534
MetadataModified	2024-09-07T14:20:04.525588
MetadataPublished	2018-04-29

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053744	PubChem
The data in this table is sourced from UniChem at EBI.