MassBank Record: WA002159



 Tiapride; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002159
RECORD_TITLE: Tiapride; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0090000000-e2c8c0ee47f8861ae633 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 100 55 55 177 20 20 212 82 82 213 215 215 214 20 20 215 12 12 253 16 16 256 999 999 257 86 86 258 59 59 329 35 35 //