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Clomipramine-M (N-oxide) MS2
SpectraBase Compound ID 6NO44QjKMG2
InChI InChI=1S/C19H24ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14,23H,5,8-9,12-13H2,1-2H3/q+1
InChIKey AQTLHTBDWGCDJQ-UHFFFAOYSA-N
Mol Weight 331.87 g/mol
Molecular Formula C19H24ClN2O
Exact Mass 331.157716 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9SrbHozCelL
Name Clomipramine-M (N-oxide)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-355.00]
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Formula C19H23ClN2O
InChI InChI=1S/C19H24ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14,23H,5,8-9,12-13H2,1-2H3/q+1
InChIKey AQTLHTBDWGCDJQ-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+](CCCN1C=2C=CC=CC2CCC2=CC=C(C=C12)Cl)(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