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Clomipramine-M (N-oxide) MS3_1
SpectraBase Compound ID IdDO721zFst
InChI InChI=1S/C17H17ClN/c1-2-11-19-16-6-4-3-5-13(16)7-8-14-9-10-15(18)12-17(14)19/h3-6,9-10,12H,1-2,7-8,11H2/q+1
InChIKey BJEVMGCZHQKUPI-UHFFFAOYSA-N
Mol Weight 270.78 g/mol
Molecular Formula C17H17ClN
Exact Mass 270.104952 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID E5wYTJ4OHni
Name Clomipramine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C17H17ClN/c1-2-11-19-16-6-4-3-5-13(16)7-8-14-9-10-15(18)12-17(14)19/h3-6,9-10,12H,1-2,7-8,11H2/q+1
InChIKey BJEVMGCZHQKUPI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]CCN1C2=CC(=CC=C2CCC2=C1C=CC=C2)Cl
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 ms3
Technique ITMS