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Clozapine-M (HO-) MS3_1
SpectraBase Compound ID 2SuoJF6ASvF
InChI InChI=1S/C17H14ClN3O/c1-3-21(4-2)17-11-7-5-6-8-13(11)19-15-10-16(22)12(18)9-14(15)20-17/h3,5-10H,1-2,4H2,(H-,19,20,22)/p+1
InChIKey VBKJNXJOPAVQEQ-UHFFFAOYSA-O
Mol Weight 312.78 g/mol
Molecular Formula C17H15ClN3O
Exact Mass 312.090365 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8p8dHbsPkqF
Name Clozapine-M (HO-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00]
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InChI InChI=1S/C17H14ClN3O/c1-3-21(4-2)17-11-7-5-6-8-13(11)19-15-10-16(22)12(18)9-14(15)20-17/h3,5-10H,1-2,4H2,(H-,19,20,22)/p+1
InChIKey VBKJNXJOPAVQEQ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C2=CC(=C(C=C2N=C(N(C=C)C[CH2+])C=2C=CC=CC12)Cl)O
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