Dataset

1,3,7-Trimethyluric acid

This MassBank record with Accession MSBNK-Eawag-EQ01150956 contains the MS2 mass spectrum of 1,3,7-Trimethyluric acid with the InChIkey BYXCFUMGEBZDDI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
SMILES	CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
InChI Key	BYXCFUMGEBZDDI-UHFFFAOYSA-N
Molecular Formula	C8H10N4O3
Exact Mass	210.075 g/mol

Data and Resources

1,3,7-Trimethyluric acidHTML
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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-EQ01150956
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:53:38.167267
MetadataModified	2025-02-09T09:53:38.341373
MetadataPublished	2024-05-08

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
159043	Brenda
HMDB0002123	Human Metabolome Database
39969	Brenda
162034	Brenda
MTBLC691622	Metabolights
ZINC000100034211	ZINC
SCHEMBL2037400	SureChEMBL
MCULE-7349459926	Mcule
15488231	PubChem: Thomson Pharma
5415-44-1	ACToR
CB8125682	ChemicalBook
PD017899	ProbesDrugs
60028239	NMRShiftDB
79437	PubChem
C16361	KEGG Ligand
CHEMBL1767	ChEMBL
691622	ChEBI
EXU	PDBe
Z61UN6MHB7	FDA SRS
XIDBIW	CCDC
J2.233K	Nikkaji
DTXSID50202496	EPA CompTox Dashboard
691622	Rhea
The data in this table is sourced from UniChem at EBI.