Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H16O5S/c1-11(10-13(14)17-2)18-19(15,16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
SMILES	COC(=O)CC(OS(=O)(=O)/C=C/c1ccccc1)C
InChI Key	PFQIXBDZPIDCQY-CMDGGOBGSA-N
Molecular Formula	C13H16O5S
Exact Mass	284.328 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PFQIXBDZPIDCQY-CMDGGOBGSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PFQIXBDZPIDCQY-CMDGGOBGSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:14:28.153168
MetadataModified	2025-01-29T16:07:34.976461
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.