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Terbinafine-M (dihydrodiol-) isomer 1 MS2
SpectraBase Compound ID JGNcUalNzY1
InChI InChI=1S/C21H27NO2/c1-21(2,3)12-8-5-9-13-22(4)15-16-14-19(23)20(24)18-11-7-6-10-17(16)18/h5-7,9-11,14,19-20,23-24H,13,15H2,1-4H3/b9-5+
InChIKey WHJJIUKYBPSJBO-WEVVVXLNSA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID A5RMuCn8j0h
Name Terbinafine-M (dihydrodiol-) isomer 3 MS2
Comments T: ITMS + c ESI d w Full ms2 [email protected] [75.00-340.00]
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Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-21(2,3)12-8-5-9-13-22(4)15-16-14-19(23)20(24)18-11-7-6-10-17(16)18/h5-7,9-11,14,19-20,23-24H,13,15H2,1-4H3/b9-5+
InChIKey WHJJIUKYBPSJBO-WEVVVXLNSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1C(C=C(C2=CC=CC=C12)CN(C\C=C\C#CC(C)(C)C)C)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