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DFBDB-M (N-oxide) MS2
SpectraBase Compound ID 3KjyRdNYcro
InChI InChI=1S/C11H13F2NO3/c1-2-8(14-15)6-7-4-3-5-9-10(7)17-11(12,13)16-9/h3-5,8,14-15H,2,6H2,1H3
InChIKey XRXLBZBNHUDUTP-UHFFFAOYSA-N
Mol Weight 245.23 g/mol
Molecular Formula C11H13F2NO3
Exact Mass 245.08635 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HzB7Q6q8Bly
Name DFBDB-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 246.10
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Formula C11H13F2NO3
InChI InChI=1S/C11H13F2NO3/c1-2-8(14-15)6-7-4-3-5-9-10(7)17-11(12,13)16-9/h3-5,8,14-15H,2,6H2,1H3
InChIKey XRXLBZBNHUDUTP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(CC1=CC=CC2=C1OC(O2)(F)F)CC)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