Dataset

1,7-Dimethyluric acid; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01078709 contains the MS2 mass spectrum of 1,7-Dimethyluric acid with the InChIkey NOFNCLGCUJJPKU-UHFFFAOYSA-N.

Chemical Information

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-EQ01078709
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MetadataPublished 2024-05-08
Related Molecule
  • 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:68449 chebi
    CHEMBL794 chembl
    232390 surechembl
    91611 pubchem
    PD017131 probes_and_drugs
    126012 brenda
    39968 brenda
    Z633Z7KAJU fdasrs
    HMDB0011103 hmdb
    Molport-003-931-996 molport
    The data in this table is sourced from UniChem at EBI.