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Clozapine-M (323) MS3_1
SpectraBase Compound ID ABdvsjyugsH
InChI InChI=1S/C17H18N4O/c22-12-5-6-15-16(11-12)20-17(21-9-7-18-8-10-21)13-3-1-2-4-14(13)19-15/h1-6,11,18-19,22H,7-10H2
InChIKey SDLNSKFYCGPTMW-UHFFFAOYSA-N
Mol Weight 294.36 g/mol
Molecular Formula C17H18N4O
Exact Mass 294.148061 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DDTtcawdJQ7
Name Clozapine-M (nor-8-dechloro-8-HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-320.00]
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Formula C17H18N4O
InChI InChI=1S/C17H18N4O/c22-12-5-6-15-16(11-12)20-17(21-9-7-18-8-10-21)13-3-1-2-4-14(13)19-15/h1-6,11,18-19,22H,7-10H2
InChIKey SDLNSKFYCGPTMW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1CCN(C2=NC3=CC(=CC=C3NC=3C=CC=CC23)O)CC1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD