Dataset

Ofloxacin; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF407503 contains the MS2 mass spectrum of Ofloxacin with the InChIkey GSDSWSVVBLHKDQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
SMILES CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
InChI Key GSDSWSVVBLHKDQ-UHFFFAOYSA-N
Molecular Formula C18H20FN3O4
Exact Mass 361.144 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-UFZ-UF407503
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01165 drugbank
    CHEBI:194135 chebi
    CHEMBL4 chembl
    14163982 surechembl
    24373 surechembl
    3288597 pubchem
    4583 pubchem
    A4P49JAZ9H fdasrs
    10911 gtopdb
    10918 gtopdb
    PD001409 probes_and_drugs
    YUJNUM CCDC
    229740 brenda
    229741 brenda
    33876 brenda
    36458 brenda
    HMDB0015296 hmdb
    50030643 bindingdb
    50030646 bindingdb
    50559377 bindingdb
    50572661 bindingdb
    50619922 bindingdb
    50623006 bindingdb
    50738909 bindingdb
    50753815 bindingdb
    50772837 bindingdb
    50774485 bindingdb
    50777547 bindingdb
    50777737 bindingdb
    50920606 bindingdb
    50999968 bindingdb
    51006513 bindingdb
    51020439 bindingdb
    51175422 bindingdb
    51175423 bindingdb
    51191895 bindingdb
    51195796 bindingdb
    Molport-000-422-241 molport
    Molport-000-758-642 molport
    1981 drugcentral
    The data in this table is sourced from UniChem at EBI.