Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H14OS2/c1-7(10-12-4-5-13-10)8-2-3-9(11)6-8/h8H,2-6H2,1H3
SMILES	O=C1CCC(C1)C(=C1SCCS1)C
InChI Key	QPWUQJGOQDXGSQ-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/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:25.768888
MetadataModified	2024-09-07T14:25:45.200183
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083279	PubChem
The data in this table is sourced from UniChem at EBI.