Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H9N3/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H2,10,12)
SMILES	Cc1nc2ccccc2nc1N
InChI Key	WGHZDFAULZNZJE-UHFFFAOYSA-N
Molecular Formula	C9H9N3
Exact Mass	159.188 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/WGHZDFAULZNZJE-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source	https://www.chemotion-repository.net/inchikey/WGHZDFAULZNZJE-UHFFFAOYSA-N/CHMO0000470.2
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:03:51.970586
MetadataModified	2024-09-07T21:43:50.329595
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID00326732	EPA CompTox Dashboard
ZINC000000331180	ZINC
CB8382980	ChemicalBook
356469	PubChem
1843322	eMolecules
SCHEMBL12543710	SureChEMBL
The data in this table is sourced from UniChem at EBI.