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DFMBDB-M (nor-) MS2
SpectraBase Compound ID NKSlEhqo19
InChI InChI=1S/C11H13F2NO2/c1-2-8(14)6-7-4-3-5-9-10(7)16-11(12,13)15-9/h3-5,8H,2,6,14H2,1H3
InChIKey BINRTINSZAVMLK-UHFFFAOYSA-N
Mol Weight 229.23 g/mol
Molecular Formula C11H13F2NO2
Exact Mass 229.091435 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 85WhAu1F7pC
Name DFBDB MS2
Comments F: ITMS + c ESI d w Full ms2 230.10
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Formula C11H13F2NO2
InChI InChI=1S/C11H13F2NO2/c1-2-8(14)6-7-4-3-5-9-10(7)16-11(12,13)15-9/h3-5,8H,2,6,14H2,1H3
InChIKey BINRTINSZAVMLK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC(CC1=CC=CC2=C1OC(O2)(F)F)CC
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS