Dataset

Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU089206 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(COC(N)=O)=NC=C1[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-LCSB-LU089206
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MetadataPublished 2020-08-19
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
    PD001489 ProbesDrugs
    E01R4M1063 FDA SRS
    14748691 PubChem: Thomson Pharma
    7681-76-7 ACToR
    ronidazole Selleck
    LSM-5987 LINCS
    141154 ChEBI
    SCHEMBL635714 SureChEMBL
    DTXSID6045400 EPA CompTox Dashboard
    ZINC000001482167 ZINC
    HMDB0257302 Human Metabolome Database
    SONDEE CCDC
    RONIDAZOLE rxnorm
    HY-B0565 MedChemExpress
    CB4269522 ChemicalBook
    5094 PubChem
    594101 eMolecules
    CHEMBL290299 ChEMBL
    The data in this table is sourced from UniChem at EBI.