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Trimipramine-M (N-oxide) MS2
SpectraBase Compound ID AdfaLHOq8b
InChI InChI=1S/C20H27N2O/c1-16(15-22(2,3)23)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,23H,12-15H2,1-3H3/q+1
InChIKey RKXBFOIJLBNZEB-UHFFFAOYSA-N
Mol Weight 311.45 g/mol
Molecular Formula C20H27N2O
Exact Mass 311.212338 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FYNUPFrM07V
Name Trimipramine-M (N-oxide)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-335.00]
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Formula C20H26N2O
InChI InChI=1S/C20H27N2O/c1-16(15-22(2,3)23)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,23H,12-15H2,1-3H3/q+1
InChIKey RKXBFOIJLBNZEB-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES O[N+](CC(CN1C2=C(C=CC=C2)CCC2=C1C=CC=C2)C)(C)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD