Dataset

Ronidazole; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.1 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU107101 contains the MS2 mass spectrum of Ronidazole with the InChIkey PQFRTXSWDXZRRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)
SMILES Cn1c(cnc1COC(=O)N)[N+](=O)[O-]
InChI Key PQFRTXSWDXZRRS-UHFFFAOYSA-N
Molecular Formula C6H8N4O4
Exact Mass 200.055 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU107101
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MetadataPublished 2015-07-05
Related Molecule
  • (1-methyl-5-nitroimidazol-2-yl)methyl carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:141154 chebi
    CHEMBL290299 chembl
    635714 surechembl
    5094 pubchem
    E01R4M1063 fdasrs
    DB20601 drugbank
    PD001489 probes_and_drugs
    SONDEE CCDC
    HMDB0257302 hmdb
    Molport-003-666-373 molport
    The data in this table is sourced from UniChem at EBI.