MassBank Record: WA001208



 Acepromethazine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001208
RECORD_TITLE: Acepromethazine; LC-ESI-Q; MS; POS; 75 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$NAME: Acepromethazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H22N2OS CH$EXACT_MASS: 326.14528 CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3 CH$LINK: CAS 13461-01-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.030 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0290000000-7d4b68d4a0aa57997967 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 105 20 20 162 8 8 167 8 8 179 8 8 180 8 8 196 12 12 197 454 454 198 63 63 199 31 31 204 16 16 206 12 12 207 24 24 208 8 8 212 16 16 222 51 51 223 24 24 224 165 165 225 71 71 226 20 20 228 8 8 236 8 8 238 16 16 239 71 71 240 999 999 241 145 145 242 55 55 243 8 8 250 20 20 252 8 8 254 27 27 255 8 8 266 24 24 267 16 16 268 8 8 281 39 39 282 24 24 283 8 8 //