MassBank Record: WA001315



 Chlorpromazin; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001315
RECORD_TITLE: Chlorpromazin; LC-ESI-Q; MS; POS; 60 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$NAME: Chlorpromazin CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H19ClN2S CH$EXACT_MASS: 318.09575 CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 CH$LINK: CAS 50-53-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.200 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ot-0190000000-ea22723488c84db85cb0 PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 102 102 102 106 31 31 109 8 8 117 27 27 124 39 39 131 8 8 133 74 74 136 78 78 138 8 8 147 8 8 148 31 31 149 71 71 150 24 24 154 20 20 158 8 8 162 24 24 164 12 12 166 24 24 167 51 51 168 8 8 169 8 8 173 8 8 176 20 20 178 12 12 180 71 71 182 20 20 186 39 39 187 12 12 188 24 24 189 8 8 190 8 8 194 31 31 195 43 43 196 247 247 197 31 31 198 188 188 199 125 125 200 121 121 201 12 12 202 12 12 205 16 16 206 51 51 207 39 39 208 8 8 209 24 24 210 31 31 211 184 184 212 172 172 213 16 16 214 893 893 215 470 470 216 270 270 217 43 43 221 8 8 222 35 35 223 98 98 224 47 47 225 51 51 226 39 39 227 20 20 228 615 615 229 67 67 230 55 55 231 24 24 232 125 125 233 212 212 234 63 63 235 90 90 236 16 16 237 20 20 238 55 55 239 760 760 240 145 145 241 86 86 242 90 90 243 24 24 244 118 118 246 999 999 247 98 98 248 404 404 249 55 55 250 24 24 251 12 12 254 55 55 255 349 349 256 317 317 257 78 78 258 31 31 259 16 16 260 31 31 262 24 24 263 8 8 264 12 12 269 43 43 270 12 12 271 8 8 272 212 212 273 94 94 274 141 141 275 51 51 276 55 55 277 20 20 278 8 8 286 24 24 287 20 20 290 98 98 291 8 8 292 27 27 296 8 8 297 12 12 301 51 51 302 20 20 304 16 16 310 12 12 313 8 8 315 8 8 317 51 51 319 157 157 320 35 35 321 71 71 322 12 12 324 20 20 328 8 8 333 51 51 335 47 47 336 8 8 337 20 20 340 8 8 342 16 16 351 27 27 352 8 8 353 16 16 358 8 8 //