Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11NO5S/c13-8-1-2-9(12(14)15)10(3-8)18(16,17)11-4-7(5-11)6-11/h1-3,7,13H,4-6H2
SMILES	Oc1ccc(c(c1)S(=O)(=O)C12CC(C1)C2)[N+](=O)[O-]
InChI Key	OBIPJSIYLRCGJR-UHFFFAOYSA-N
Molecular Formula	C11H11NO5S
Exact Mass	269.274 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/OBIPJSIYLRCGJR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OBIPJSIYLRCGJR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:10:41.408866
MetadataModified	2024-09-07T16:39:10.157716
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926349	PubChem
The data in this table is sourced from UniChem at EBI.