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Clozapine-M/artifact (N-oxide dimer) MS3_1
SpectraBase Compound ID ImHqRxrCJLH
InChI InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKey OGUCZBIQSYYWEF-UHFFFAOYSA-N
Mol Weight 342.83 g/mol
Molecular Formula C18H19ClN4O
Exact Mass 342.124739 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AJke9BUohk
Name Clozapine-M/artifact (N-oxide dimer) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKey OGUCZBIQSYYWEF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C2=CC=C(C=C2N=C(C2=C1C=CC=C2)N1CCN(CC1)(C)=O)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS