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Terbinafine-M (dihydrodiol-HO-dehydro-) MS2
SpectraBase Compound ID JKzXxQMhTin
InChI InChI=1S/C21H29NO3/c1-21(2,3)12-8-5-9-13-22(4)14-17-15-10-6-7-11-16(15)18(23)20(25)19(17)24/h5-7,9-11,17-20,23-25H,13-14H2,1-4H3/b9-5+
InChIKey UDDKBJYKEPPUGV-WEVVVXLNSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 31IDfs254Vu
Name Terbinafine-M (dihydrodiol-HO-dehydro-) MS2
Comments T: ITMS + c ESI d w Full ms2 [email protected] [80.00-355.00]
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Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-21(2,3)12-8-5-9-13-22(4)14-17-15-10-6-7-11-16(15)18(23)20(25)19(17)24/h5-7,9-11,17-20,23-25H,13-14H2,1-4H3/b9-5+
InChIKey UDDKBJYKEPPUGV-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)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