MassBank Record: WA002444



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

ACCESSION: WA002444
RECORD_TITLE: Veralipride; 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$NAME: Veralipride CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H25N3O5S CH$EXACT_MASS: 383.15149 CH$SMILES: C=CCN(C2)C(CC2)CNC(=O)c(c1)c(OC)c(OC)cc1S(N)(=O)=O CH$IUPAC: InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23) CH$LINK: CAS 66644-81-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.460 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: splash10-006x-0980000000-d8b034bf025507cd797e PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 107 24 24 108 35 35 109 16 16 110 290 290 111 16 16 120 20 20 122 35 35 124 862 862 125 78 78 135 16 16 136 27 27 137 27 27 164 12 12 165 12 12 184 12 12 185 12 12 200 12 12 201 212 212 202 16 16 203 16 16 229 55 55 244 999 999 245 82 82 246 63 63 247 12 12 384 141 141 385 24 24 406 35 35 //