ACCESSION: MSBNK-Waters-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: CC BY-NC

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)
CH$LINK: INCHIKEY JFFGSFYJCBZOQH-UHFFFAOYSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.650 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
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
//