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Fleroxacin-M (methyl-) MS3_2
SpectraBase Compound ID 8kQqwwY3kze
InChI InChI=1S/C17H17F3N3O2/c1-21-4-6-22(7-5-21)16-13(19)8-12-15(14(16)20)23(3-2-18)9-11(10-24)17(12)25/h8-9H,2-7H2,1H3/q+1
InChIKey DQDCROMKSWECKS-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C17H17F3N3O2
Exact Mass 352.127286 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6zL8oEw4q8
Name Fleroxacin-M (glucuronide) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C17H17F3N3O2/c1-21-4-6-22(7-5-21)16-13(19)8-12-15(14(16)20)23(3-2-18)9-11(10-24)17(12)25/h8-9H,2-7H2,1H3/q+1
InChIKey DQDCROMKSWECKS-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C=1C(C2=C(N(C1)CCF)C(=C(C(=C2)F)N1CCN(CC1)C)F)=O)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS