Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)
SMILES	NNC(=O)Cc1nnn[nH]1
InChI Key	TWKUAKLZOIABHJ-UHFFFAOYSA-N
Molecular Formula	C3H6N6O
Exact Mass	142.119 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000498
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:58:00.696796
MetadataModified	2024-09-08T00:58:00.696802
MetadataPublished	2023-05-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.529.631A	Nikkaji
CHEMBL3785434	ChEMBL
ZINC000090613053	ZINC
CB02560957	ChemicalBook
50158850	BindingDB
223562	Brenda
MCULE-5629806431	Mcule
55281807	PubChem
32232510	eMolecules
The data in this table is sourced from UniChem at EBI.