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Fleroxacin-M (N-oxide) MS3_2
SpectraBase Compound ID 8msDDOb2bmD
InChI InChI=1S/C15H11F3N2O3/c1-3-19(2)13-10(17)6-8-12(11(13)18)20(5-4-16)7-9(14(8)21)15(22)23/h3,6-7H,1-2,4-5H2/p+1
InChIKey YTXCZGYQYWBWGG-UHFFFAOYSA-O
Mol Weight 325.27 g/mol
Molecular Formula C15H12F3N2O3
Exact Mass 325.080002 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5RvhHmvBcCk
Name Fleroxacin-M/artifact (N-oxide dimer) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00]
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InChI InChI=1S/C15H11F3N2O3/c1-3-19(2)13-10(17)6-8-12(11(13)18)20(5-4-16)7-9(14(8)21)15(22)23/h3,6-7H,1-2,4-5H2/p+1
InChIKey YTXCZGYQYWBWGG-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C=1C(C2=C(C(=C([N+](=C)C=C)C(=C2)F)F)N(C1)CCF)=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