Dataset

1-Methyluric acid; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01152458 contains the MS2 mass spectrum of 1-Methyluric acid with the InChIkey QFDRTQONISXGJA-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01152458
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Maintainer
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MetadataPublished 2024-05-08
Related Molecule
  • 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:68441 chebi
    CHEMBL793 chembl
    235671 surechembl
    3182825 surechembl
    69726 pubchem
    2WS4HQ639J fdasrs
    PD099505 probes_and_drugs
    19868 brenda
    23326 brenda
    HMDB0003099 hmdb
    Molport-003-824-630 molport
    Molport-046-683-520 molport
    The data in this table is sourced from UniChem at EBI.