Dataset

1,7-Dimethyluric acid

This MassBank record with Accession MSBNK-Eawag-EQ01078753 contains the MS2 mass spectrum of 1,7-Dimethyluric acid with the InChIkey NOFNCLGCUJJPKU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)
SMILES CN1C2=C(NC1=O)NC(=O)N(C2=O)C
InChI Key NOFNCLGCUJJPKU-UHFFFAOYSA-N
Molecular Formula C7H8N4O3
Exact Mass 196.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01078753
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:59:16.071208
MetadataModified 2025-02-09T09:59:16.240284
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL794 ChEMBL
C16356 KEGG Ligand
J308.550C Nikkaji
DTXSID30187499 EPA CompTox Dashboard
91611 PubChem
PD017131 ProbesDrugs
CB2293828 ChemicalBook
15042507 PubChem: Thomson Pharma
Z633Z7KAJU FDA SRS
33868-03-0 ACToR
SCHEMBL232390 SureChEMBL
68449 ChEBI
505028 eMolecules
HMDB0011103 Human Metabolome Database
126012 Brenda
MTBLC68449 Metabolights
39968 Brenda
ZINC000100034396 ZINC
The data in this table is sourced from UniChem at EBI.