Dataset

5-Amino-4-imidazolecarboxamide

This MassBank record with Accession MSBNK-Keio_Univ-KO002314 contains the MS2 mass spectrum of 5-Amino-4-imidazolecarboxamide with the InChIkey DVNYTAVYBRSTGK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
SMILES	C1=NC(=C(N1)C(=O)N)N
InChI Key	DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula	C4H6N4O
Exact Mass	126.054 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002314
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:21.583702
MetadataModified	2025-02-09T14:26:42.749282
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1610	ChEMBL
5AC	PDBe
2030	ChEBI
C04051	KEGG Ligand
DTXSID8059891	EPA CompTox Dashboard
HY-41461	MedChemExpress
7957	BindingDB
AIMZCX	CCDC
J37.792I	Nikkaji
1994	DrugCentral
51407	Brenda
DB06143	DrugBank
16213939	PubChem: Thomson Pharma
9679	PubChem
16935366	PubChem: Thomson Pharma
SCHEMBL8024	SureChEMBL
PD073653	ProbesDrugs
3V0Y2PDE6K	FDA SRS
984096	eMolecules
520361	eMolecules
3316	Brenda
48662	Brenda
151873	Brenda
91865	Brenda
HMDB0003192	Human Metabolome Database
2030	Rhea
CB2438232	ChemicalBook
CB9438231	ChemicalBook
ZINC000003861263	ZINC
MTBLC2030	Metabolights
111950	Brenda
56980	Brenda
29527	Brenda
110300	Brenda
28080	Brenda
112623	Brenda
MCULE-2385217196	Mcule
20200603	NMRShiftDB
The data in this table is sourced from UniChem at EBI.