MassBank Record: WA000835



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

ACCESSION: WA000835
RECORD_TITLE: Domperidone; 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$NAME: Domperidone CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H24ClN5O2 CH$EXACT_MASS: 425.16185 CH$SMILES: Clc(c5)cc(N1)c(c5)N(C(C2)CCN(CCCN(C(=O)3)c(c4)c(ccc4)N3)C2)C(=O)1 CH$IUPAC: InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30) CH$LINK: CAS 57808-66-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.000 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: splash10-004i-0900400000-1b7434e955c50d372e12 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 109 8 8 127 20 20 128 8 8 147 200 200 175 999 999 176 98 98 177 16 16 184 24 24 203 8 8 217 12 12 235 24 24 237 8 8 252 16 16 256 8 8 258 12 12 408 125 125 409 31 31 426 278 278 427 47 47 428 106 106 429 20 20 430 16 16 446 8 8 448 24 24 449 24 24 450 16 16 464 12 12 //