Dataset

1,9-dimethyluric acid; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01703 contains the MS2 mass spectrum of 1,9-dimethyluric acid with the InChIkey UARKDOLETOEBCU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)
SMILES CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O
InChI Key UARKDOLETOEBCU-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-Washington_State_Univ-BML01703
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1,9-dimethyl-3,7-dihydropurine-2,6,8-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    505030 eMolecules
    55441-62-8 ACToR
    HMDB0002026 Human Metabolome Database
    MCULE-5253878859 Mcule
    ZINC000002584392 ZINC
    SCHEMBL21594812 SureChEMBL
    108712 PubChem
    J266.994C Nikkaji
    173963 ChEBI
    The data in this table is sourced from UniChem at EBI.