Dataset

Ciprofloxacin; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016395 contains the MS2 mass spectrum of Ciprofloxacin with the InChIkey MYSWGUAQZAJSOK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
SMILES C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
InChI Key MYSWGUAQZAJSOK-UHFFFAOYSA-N
Molecular Formula C17H18FN3O3
Exact Mass 331.133 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016395
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00537 DrugBank
    C05349 KEGG Ligand
    CHEMBL8 ChEMBL
    100241 ChEBI
    CPF PDBe
    CB52630301 ChemicalBook
    CB22670034 ChemicalBook
    J21.732H Nikkaji
    UHITOV CCDC
    21690 BindingDB
    10902 Guide to Pharmacology
    CIPROFLOXACIN DailyMed
    229280 Brenda
    229281 Brenda
    CIPROFLOXACIN rxnorm
    PROQUIN rxnorm
    CILOXAN rxnorm
    CETRAXAL rxnorm
    CIPROFLOXACIN HYDROCHLORIDE rxnorm
    OTIPRIO rxnorm
    CIPRO rxnorm
    CETRAXAL clinicaltrials
    PROQUIN clinicaltrials
    BAYQ3939 clinicaltrials
    CILOXAN clinicaltrials
    CIPRO clinicaltrials
    CIPROFLOXACIN clinicaltrials
    CIPROFLOXACIN HYDROCHLORIDE clinicaltrials
    CIPROXIN clinicaltrials
    HY-B0356 MedChemExpress
    OTIPRIO clinicaltrials
    DTXSID8022824 EPA CompTox Dashboard
    659 DrugCentral
    ZINC000000020220 ZINC
    MCULE-8631780654 Mcule
    HMDB0014677 Human Metabolome Database
    1229 Brenda
    PA449009 PharmGKB
    ciprofloxacin DailyMed
    14777502 PubChem: Thomson Pharma
    PD000974 ProbesDrugs
    60058704 NMRShiftDB
    192484 ChEBI
    ciprofloxacin Atlas
    5E8K9I0O4U FDA SRS
    LSM-5226 LINCS
    4011971 PubChem
    SCHEMBL2900 SureChEMBL
    2764 PubChem
    85721-33-1 ACToR
    ciprofloxacin-cipro Selleck
    485830 eMolecules
    The data in this table is sourced from UniChem at EBI.