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Fleroxacin-M (nor-) MS3_1
SpectraBase Compound ID LBBIfDHmoWo
InChI InChI=1S/C16H14F2N3O2/c1-2-20-8-10(9-22)16(23)11-7-12(17)15(13(18)14(11)20)21-5-3-19-4-6-21/h2,7-8,19H,1,3-6H2/q+1
InChIKey MBWISZGDBIKXNC-UHFFFAOYSA-N
Mol Weight 318.3 g/mol
Molecular Formula C16H14F2N3O2
Exact Mass 318.105408 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2lS7VuFsKxL
Name Fleroxacin-M (nor-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-330.00]
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InChI InChI=1S/C16H14F2N3O2/c1-2-20-8-10(9-22)16(23)11-7-12(17)15(13(18)14(11)20)21-5-3-19-4-6-21/h2,7-8,19H,1,3-6H2/q+1
InChIKey MBWISZGDBIKXNC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1CCN(CC1)C1=C(C2=C(C(C(=C=O)[CH+]N2C=C)=O)C=C1F)F
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