Dataset

Sarafloxacin; LC-ESI-QTOF; MS2; CE: Ramp 23.3-35.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU103501 contains the MS2 mass spectrum of Sarafloxacin with the InChIkey XBHBWNFJWIASRO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
SMILES c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)N4CCNCC4)C(=O)O)F
InChI Key XBHBWNFJWIASRO-UHFFFAOYSA-N
Molecular Formula C20H17F2N3O3
Exact Mass 385.124 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-AU103501
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MetadataPublished 2015-06-23
Related Molecule
  • 6-fluoro-1-(4-fluorophenyl)-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
    DB11491 drugbank
    CHEBI:94493 chebi
    CHEMBL37858 chembl
    311593 surechembl
    25273230 pubchem
    56208 pubchem
    RC3WJ907XY fdasrs
    10857 gtopdb
    PD013305 probes_and_drugs
    HMDB0039526 hmdb
    Molport-003-850-226 molport
    The data in this table is sourced from UniChem at EBI.