Dataset

1-Methyluric acid

This MassBank record with Accession MSBNK-Eawag-EQ01152406 contains the MS2 mass spectrum of 1-Methyluric acid with the InChIkey QFDRTQONISXGJA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
SMILES	CN1C(=O)C2=C(NC(=O)N2)NC1=O
InChI Key	QFDRTQONISXGJA-UHFFFAOYSA-N
Molecular Formula	C6H6N4O3
Exact Mass	182.044 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01152406
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:14:34.106137
MetadataModified	2025-02-09T10:14:34.277624
MetadataPublished	2024-05-08
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0003099	Human Metabolome Database
MTBLC68441	Metabolights
23326	Brenda
19868	Brenda
69726	PubChem
PD099505	ProbesDrugs
68441	ChEBI
2WS4HQ639J	FDA SRS
708-79-2	ACToR
SCHEMBL235671	SureChEMBL
15364323	PubChem: Thomson Pharma
528944	eMolecules
CHEMBL793	ChEMBL
C16359	KEGG Ligand
HY-W010031	MedChemExpress
ZINC000001845780	ZINC
DTXSID70221063	EPA CompTox Dashboard
J94.928K	Nikkaji
CB6107257	ChemicalBook
The data in this table is sourced from UniChem at EBI.