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Clozapine MS3_1
SpectraBase Compound ID 34kWGUwp034
InChI InChI=1S/C17H15ClN3/c1-3-21(4-2)17-13-7-5-6-8-14(13)19-15-10-9-12(18)11-16(15)20-17/h3,5-11,19H,1-2,4H2/q+1
InChIKey LFYWTJMEYGRNSC-UHFFFAOYSA-N
Mol Weight 296.78 g/mol
Molecular Formula C17H15ClN3
Exact Mass 296.09545 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JVpjEC9Tu0T
Name Clozapine-M (glucuronide) isomer 2 MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C17H15ClN3/c1-3-21(4-2)17-13-7-5-6-8-14(13)19-15-10-9-12(18)11-16(15)20-17/h3,5-11,19H,1-2,4H2/q+1
InChIKey LFYWTJMEYGRNSC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C=2C(N=C(C3=C1C=CC=C3)N(C=C)C[CH2+])=CC(=CC2)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