MassBank Record: WA001376



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

ACCESSION: WA001376
RECORD_TITLE: p-Chlorodisopyramide; 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$NAME: p-Chlorodisopyramide CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H28ClN3O CH$EXACT_MASS: 373.19209 CH$SMILES: CC(C)N(C(C)C)CCC(C(N)=O)(c(c2)nccc2)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C21H28ClN3O/c1-15(2)25(16(3)4)14-12-21(20(23)26,19-7-5-6-13-24-19)17-8-10-18(22)11-9-17/h5-11,13,15-16H,12,14H2,1-4H3,(H2,23,26)
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.650 min AC$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$SPLASH: splash10-004l-0790000000-af47c31143f180f4c102 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 105 8 8 115 8 8 116 8 8 117 24 24 118 407 407 119 35 35 125 8 8 143 12 12 165 12 12 166 12 12 167 82 82 168 12 12 180 24 24 181 20 20 191 31 31 192 317 317 193 494 494 194 118 118 195 20 20 201 39 39 202 12 12 203 16 16 210 8 8 214 12 12 216 8 8 219 8 8 228 999 999 229 423 423 230 388 388 231 141 141 232 20 20 255 20 20 273 8 8 374 8 8 //