MassBank Record: WA002446



 Veralipride; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002446
RECORD_TITLE: Veralipride; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0089-0409000000-f489d85370c5210cd5d2 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 110 43 43 124 584 584 125 43 43 244 86 86 342 47 47 384 999 999 385 188 188 386 71 71 406 12 12 //