Dataset

Difloxacin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU102806 contains the MS2 mass spectrum of Difloxacin with the InChIkey NOCJXYPHIIZEHN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
SMILES CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F
InChI Key NOCJXYPHIIZEHN-UHFFFAOYSA-N
Molecular Formula C21H19F2N3O3
Exact Mass 399.139 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-AU102806
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MetadataPublished 2016-02-21
Related Molecule
  • 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000004099034 ZINC
    MTBLC4537 Metabolights
    MCULE-3301012394 Mcule
    40473223 PubChem
    56206 PubChem
    PD013971 ProbesDrugs
    15475191 PubChem: Thomson Pharma
    98106-17-3 ACToR
    SCHEMBL148765 SureChEMBL
    5Z7OO9FNFD FDA SRS
    901758 eMolecules
    CHEMBL6259 ChEMBL
    C11234 KEGG Ligand
    HMDB0251259 Human Metabolome Database
    4537 ChEBI
    J22.039F Nikkaji
    10801 Guide to Pharmacology
    HY-121272 MedChemExpress
    DTXSID5048348 EPA CompTox Dashboard
    DB11511 DrugBank
    CB5175282 ChemicalBook
    The data in this table is sourced from UniChem at EBI.