MassBank Record: WA002098



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

ACCESSION: WA002098
RECORD_TITLE: Levomepromazine (oxide); 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$NAME: Levomepromazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H24N2O2S CH$EXACT_MASS: 344.15585 CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(OC)3)S(=O)c(cccc2)1 CH$IUPAC: InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m0/s1 CH$LINK: CAS 21030-68-2
AC$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: splash10-004i-0490000000-eb61a3709cfdafc15de7 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 100 71 71 154 20 20 166 31 31 167 243 243 168 27 27 179 12 12 180 16 16 182 16 16 183 12 12 185 223 223 186 161 161 187 27 27 193 16 16 194 20 20 195 74 74 196 12 12 198 71 71 199 176 176 200 31 31 201 16 16 208 24 24 209 43 43 210 443 443 211 63 63 212 24 24 213 27 27 214 102 102 215 16 16 216 12 12 224 16 16 226 16 16 227 90 90 228 999 999 229 231 231 230 67 67 236 31 31 237 16 16 238 16 16 239 12 12 240 27 27 242 102 102 243 16 16 244 12 12 250 16 16 251 20 20 252 20 20 253 24 24 254 24 24 255 16 16 266 12 12 268 43 43 269 12 12 270 12 12 282 16 16 283 27 27 284 20 20 //