MassBank Record: WA002258



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

ACCESSION: WA002258
RECORD_TITLE: Trimeprazine; 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$NAME: Trimeprazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H22N2S CH$EXACT_MASS: 298.15037 CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3 CH$LINK: CAS 84-96-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.740 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: splash10-001i-0910000000-eb45545bedfb29398746 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 100 39 39 109 20 20 151 20 20 152 59 59 153 35 35 154 16 16 166 20 20 167 94 94 168 20 20 171 16 16 178 55 55 179 204 204 180 999 999 181 114 114 184 24 24 185 12 12 192 12 12 198 27 27 199 47 47 206 16 16 211 12 12 212 118 118 213 12 12 220 16 16 224 20 20 238 16 16 //