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Clomipramine-M (nor-HO-) MS2
SpectraBase Compound ID 16AmBnfBdCf
InChI InChI=1S/C18H21ClN2O/c1-20-9-2-10-21-17-8-7-16(22)11-14(17)4-3-13-5-6-15(19)12-18(13)21/h5-8,11-12,20,22H,2-4,9-10H2,1H3
InChIKey MRLCQGACIDFFSH-UHFFFAOYSA-N
Mol Weight 316.83 g/mol
Molecular Formula C18H21ClN2O
Exact Mass 316.134241 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7JqL1TAwtc
Name Clomipramine-M (nor-HO-) MS2
Comments T: ITMS + c ESI d w Full ms2 [email protected]
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Formula C18H21ClN2O
InChI InChI=1S/C18H21ClN2O/c1-20-9-2-10-21-17-8-7-16(22)11-14(17)4-3-13-5-6-15(19)12-18(13)21/h5-8,11-12,20,22H,2-4,9-10H2,1H3
InChIKey MRLCQGACIDFFSH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCCN1C=2C=CC(=CC2CCC=2C1=CC(=CC2)Cl)O)C
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