Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H10N2O2S/c1-9-2-7-12-13(8-9)19-14(15-12)10-3-5-11(6-4-10)16(17)18/h2-8H,1H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccc(cc1)[N+](=O)[O-]
InChI Key	YYVNJMDZXBHEAA-UHFFFAOYSA-N
Molecular Formula	C14H10N2O2S
Exact Mass	270.306 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/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:47.939340
MetadataModified	2024-09-07T17:12:34.431228
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL10311768	SureChEMBL
57585565	PubChem: Thomson Pharma
ZINC000059184725	ZINC
25233601	PubChem
The data in this table is sourced from UniChem at EBI.