MassBank Record: WA000915



 N-Desmethylclozapine; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000915
RECORD_TITLE: N-Desmethylclozapine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: N-Desmethylclozapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H17ClN4 CH$EXACT_MASS: 312.11417 CH$SMILES: Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CCNC2 CH$IUPAC: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2 CH$LINK: CAS 6104-71-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.300 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0029000000-fd70ca1159665f4a12c6 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 172 12 12 243 137 137 244 188 188 245 86 86 246 59 59 247 8 8 269 24 24 270 20 20 271 16 16 311 35 35 312 141 141 313 999 999 314 204 204 315 313 313 316 51 51 327 8 8 329 12 12 330 8 8 345 8 8 //