MassBank Record: WA001870



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

ACCESSION: WA001870
RECORD_TITLE: Zuclopenthixol; 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$NAME: Zuclopenthixol CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H25ClN2OS CH$EXACT_MASS: 400.13761 CH$SMILES: OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5- CH$LINK: CAS 53772-83-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.350 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: splash10-0udi-0283900000-dcde83642402b5878760 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 110 12 12 111 39 39 112 20 20 124 16 16 125 12 12 127 31 31 137 12 12 139 227 227 140 82 82 152 47 47 157 20 20 169 31 31 170 20 20 221 20 20 231 227 227 232 12 12 233 94 94 234 16 16 235 67 67 236 94 94 238 43 43 245 24 24 257 12 12 271 345 345 272 27 27 273 411 411 274 43 43 275 110 110 276 12 12 328 67 67 330 27 27 356 290 290 357 63 63 358 125 125 359 20 20 401 999 999 402 184 184 403 435 435 404 82 82 405 20 20 //