Dataset

Enrofloxacin; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF409601 contains the MS2 mass spectrum of Enrofloxacin with the InChIkey SPFYMRJSYKOXGV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
SMILES CCN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O
InChI Key SPFYMRJSYKOXGV-UHFFFAOYSA-N
Molecular Formula C19H22FN3O3
Exact Mass 359.164 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-UF409601
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11404 drugbank
    CHEBI:35720 chebi
    CHEMBL15511 chembl
    149150 surechembl
    29349852 surechembl
    6957639 pubchem
    71188 pubchem
    3DX3XEK1BN fdasrs
    13668 gtopdb
    PD000881 probes_and_drugs
    XICPAC CCDC
    127562 brenda
    HMDB0029861 hmdb
    50754437 bindingdb
    Molport-001-738-732 molport
    5532 drugcentral
    The data in this table is sourced from UniChem at EBI.