MassBank Record: WA002224



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

ACCESSION: WA002224
RECORD_TITLE: Levomepromazine; 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$NAME: Levomepromazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H24N2OS CH$EXACT_MASS: 328.16093 CH$SMILES: CN(C)CC([H])(C)CN(c21)c(c3)c(ccc(OC)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1 CH$LINK: CAS 60-99-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.800 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: splash10-03xs-0980000000-741799d4aa21771fa078 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 100 51 51 109 12 12 139 16 16 154 27 27 166 125 125 167 737 737 168 86 86 179 27 27 180 35 35 181 12 12 182 31 31 183 24 24 185 39 39 186 411 411 187 55 55 188 20 20 193 39 39 194 51 51 195 208 208 196 27 27 198 161 161 199 501 501 200 67 67 201 27 27 207 20 20 208 55 55 209 106 106 210 999 999 211 157 157 212 51 51 214 176 176 215 20 20 220 16 16 221 12 12 223 12 12 224 16 16 226 24 24 227 262 262 228 59 59 229 86 86 235 20 20 236 43 43 240 24 24 242 82 82 250 20 20 251 12 12 252 12 12 253 20 20 254 27 27 268 27 27 329 20 20 //