Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C7H4N4O/c1-4-7(12)11-6(3-9)5(2-8)10-4/h1H3,(H,11,12)
SMILES	N#Cc1[nH]c(=O)c(nc1C#N)C
InChI Key	GWQUFNJIVJLZRO-UHFFFAOYSA-N
Molecular Formula	C7H4N4O
Exact Mass	160.133 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GWQUFNJIVJLZRO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GWQUFNJIVJLZRO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:47:28.530962
MetadataModified	2024-09-08T01:47:28.530968
MetadataPublished	2023-11-02

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J739.489F	Nikkaji
36087504	eMolecules
12619141	PubChem
ZINC000068591855	ZINC
SCHEMBL20121351	SureChEMBL
The data in this table is sourced from UniChem at EBI.