Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11NO4S/c13-12(14)9-1-3-10(4-2-9)17(15,16)11-5-8(6-11)7-11/h1-4,8H,5-7H2
SMILES	O=S(=O)(C12CC(C1)C2)c1ccc(cc1)[N+](=O)[O-]
InChI Key	VRUYBCIAEJXORZ-UHFFFAOYSA-N
Molecular Formula	C11H11NO4S
Exact Mass	253.274 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/VRUYBCIAEJXORZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VRUYBCIAEJXORZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:11:06.235923
MetadataModified	2024-09-07T16:39:57.172985
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926351	PubChem
The data in this table is sourced from UniChem at EBI.