Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C5H8O2S.Na/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1
SMILES	[O-]S(=O)C12CC(C1)C2.[Na+]
InChI Key	KHFMOUFAUHOHJO-UHFFFAOYSA-M
Molecular Formula	C5H7NaO2S
Exact Mass	154.163 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KHFMOUFAUHOHJO-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KHFMOUFAUHOHJO-UHFFFAOYSA-M/CHMO0000470
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:12:38.772750
MetadataModified	2024-09-07T16:41:50.710270
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MolPort-047-636-614	MolPort
145926360	PubChem
The data in this table is sourced from UniChem at EBI.