Dataset

1,3,7-Trimethyluric acid; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01150901 contains the MS2 mass spectrum of 1,3,7-Trimethyluric acid with the InChIkey BYXCFUMGEBZDDI-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01150901
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MetadataPublished 2024-05-08
Related Molecule
  • 1,3,7-trimethyl-9H-purine-2,6,8-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:691622 chebi
    EXU rcsb_pdb
    CHEMBL1767 chembl
    10668187 surechembl
    2037400 surechembl
    79437 pubchem
    PD017899 probes_and_drugs
    XIDBIW CCDC
    159043 brenda
    162034 brenda
    39969 brenda
    EXU - Ideal conformer pdbe
    Z61UN6MHB7 fdasrs
    HMDB0002123 hmdb
    Molport-001-002-576 molport
    Molport-003-939-737 molport
    The data in this table is sourced from UniChem at EBI.