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Fleroxacin-M (methyl-) MS2
SpectraBase Compound ID 6WWWWOGLiRX
InChI InChI=1S/C18H20F3N3O3/c1-22-5-7-23(8-6-22)16-13(20)9-11-15(14(16)21)24(4-3-19)10-12(17(11)25)18(26)27-2/h9-10H,3-8H2,1-2H3
InChIKey BZCFSWBMPITOAR-UHFFFAOYSA-N
Mol Weight 383.37 g/mol
Molecular Formula C18H20F3N3O3
Exact Mass 383.145676 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6733GYyaQtO
Name Fleroxacin-M (methyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 384.10
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Formula C18H20F3N3O3
InChI InChI=1S/C18H20F3N3O3/c1-22-5-7-23(8-6-22)16-13(20)9-11-15(14(16)21)24(4-3-19)10-12(17(11)25)18(26)27-2/h9-10H,3-8H2,1-2H3
InChIKey BZCFSWBMPITOAR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1(C2=C(N(C=C1C(=O)OC)CCF)C(=C(C(=C2)F)N1CCN(CC1)C)F)=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 ms2
Technique ITMS