Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H7N3O/c10-9-8(5-13)11-6-3-1-2-4-7(6)12-9/h1-5H,(H2,10,12)
SMILES	O=Cc1nc2ccccc2nc1N
InChI Key	AXEMIQWNNYJUSS-UHFFFAOYSA-N
Molecular Formula	C9H7N3O
Exact Mass	173.171 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/AXEMIQWNNYJUSS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AXEMIQWNNYJUSS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:57:05.217265
MetadataModified	2024-09-07T17:40:12.194810
MetadataPublished	2020-04-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12427304	PubChem
The data in this table is sourced from UniChem at EBI.