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
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Maintainer
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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
    4583 PubChem
    3288597 PubChem
    60058706 NMRShiftDB
    PD001409 ProbesDrugs
    194135 ChEBI
    14876840 PubChem: Thomson Pharma
    SCHEMBL24373 SureChEMBL
    82419-36-1 ACToR
    PA450684 PharmGKB
    Ofloxacin(Floxin) Selleck
    LSM-4370 LINCS
    498886 eMolecules
    31780819 eMolecules
    MCULE-5746531107 Mcule
    33876 Brenda
    36458 Brenda
    HMDB0015296 Human Metabolome Database
    ofloxacin DailyMed
    CB7103599 ChemicalBook
    OFLOXACIN DailyMed
    OCUFLOX rxnorm
    OFLOXACIN rxnorm
    FLOXIN rxnorm
    FLOXIN clinicaltrials
    HOE 280 clinicaltrials
    HOE-280 clinicaltrials
    OFLOXACIN clinicaltrials
    OCUFLOX clinicaltrials
    DL-8280 clinicaltrials
    HY-B0125 MedChemExpress
    A4P49JAZ9H FDA SRS
    DTXSID3041085 EPA CompTox Dashboard
    1981 DrugCentral
    J242.858J Nikkaji
    YUJNUM CCDC
    50045004 BindingDB
    229740 Brenda
    229741 Brenda
    10918 Guide to Pharmacology
    DB01165 DrugBank
    12013736 PubChem: Drugs of the Future
    CHEMBL4 ChEMBL
    SAM002264629 NIH Clinical Collection
    C07321 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.