MassBank Record: WA001134



 Clozapine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001134
RECORD_TITLE: Clozapine; LC-ESI-Q; MS; POS; 90 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$NAME: Clozapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H19ClN4 CH$EXACT_MASS: 326.12982 CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc3)Nc(c2)c(cc(Cl)c2)1 CH$IUPAC: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)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 CH$LINK: CAS 5786-21-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.800 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0960000000-56710496625a6a3d0334 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 101 8 8 114 20 20 117 8 8 124 8 8 133 16 16 141 12 12 154 12 12 164 24 24 165 24 24 166 12 12 167 8 8 168 8 8 177 8 8 179 8 8 181 47 47 182 8 8 183 8 8 191 27 27 192 999 999 193 133 133 194 24 24 200 20 20 201 8 8 203 8 8 205 12 12 206 27 27 207 59 59 208 47 47 209 16 16 215 20 20 216 12 12 217 8 8 218 24 24 219 16 16 220 24 24 226 55 55 227 90 90 228 51 51 229 43 43 230 12 12 231 8 8 232 12 12 233 12 12 234 16 16 235 8 8 239 8 8 240 16 16 241 20 20 242 12 12 243 20 20 244 8 8 245 8 8 246 8 8 253 31 31 254 20 20 255 20 20 256 16 16 268 12 12 270 90 90 271 12 12 272 31 31 280 8 8 296 24 24 298 12 12 //