Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-6-9-10-11-12-13(8)9/h1-6H
SMILES	c1ccc2c(c1)n1nnnc1cc2
InChI Key	HHFCAUSIBNOUOP-UHFFFAOYSA-N
Molecular Formula	C9H6N4
Exact Mass	170.171 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/HHFCAUSIBNOUOP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HHFCAUSIBNOUOP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:04:01.377266
MetadataModified	2024-09-08T02:04:01.377271
MetadataPublished	2023-12-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1881256	ChEMBL
243033	PubChem
235-25-6	ACToR
J149.846K	Nikkaji
SCHEMBL1368459	SureChEMBL
ZINC000000331536	ZINC
DTXSID00287697	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.