Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H8N2O/c13-12-7-3-10(4-8-12)9-1-5-11-6-2-9/h1-8H
SMILES	[O-][n+]1ccc(cc1)c1ccncc1
InChI Key	JDNWJNJHGZHYNE-UHFFFAOYSA-N
Molecular Formula	C10H8N2O
Exact Mass	172.183 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/JDNWJNJHGZHYNE-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/JDNWJNJHGZHYNE-UHFFFAOYSA-N/Mass
Version
Author	Hannes Kühner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:08:31.603173
MetadataModified	2024-09-07T15:10:13.981957
MetadataPublished	2019-06-21

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL5254585	SureChEMBL
12299154	PubChem
J780.143B	Nikkaji
DTXSID20486145	EPA CompTox Dashboard
TADQAT	CCDC
The data in this table is sourced from UniChem at EBI.