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
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    • 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
    DTXSID3041085 comptox
    NCT00002850 clinicaltrials
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    NCT05302531 clinicaltrials
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    Molport-000-422-241 molport
    Molport-000-758-642 molport
    1981 drugcentral
    50045004 bindingdb
    The data in this table is sourced from UniChem at EBI.