MassBank Record: WA002157



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

ACCESSION: WA002157
RECORD_TITLE: Tiapride; 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$NAME: Tiapride CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24N2O4S CH$EXACT_MASS: 328.14568 CH$SMILES: CCN(CC)CCNC(=O)c(c(OC)1)cc(cc1)S(C)(=O)=O CH$IUPAC: InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18) CH$LINK: CAS 51012-32-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 9.780 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: splash10-03e9-0950000000-788ea58433936693e0ea PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 100 27 27 104 82 82 105 125 125 106 90 90 107 90 90 109 43 43 110 12 12 117 12 12 118 12 12 119 16 16 122 24 24 123 16 16 133 345 345 134 693 693 135 55 55 148 16 16 155 24 24 162 141 141 163 12 12 173 20 20 177 384 384 178 125 125 183 39 39 185 35 35 212 110 110 213 999 999 214 82 82 215 51 51 226 31 31 241 31 31 253 24 24 256 149 149 257 12 12 //