ACCESSION: MSBNK-Waters-WA001377
RECORD_TITLE: p-Chlorodisopyramide; 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: 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 12.600 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 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0190000000-a5e718878ecdfba601c1
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  114 16 16
  118 184 184
  119 16 16
  167 27 27
  180 12 12
  181 8 8
  192 110 110
  193 172 172
  194 47 47
  195 24 24
  201 16 16
  202 8 8
  209 8 8
  214 8 8
  216 8 8
  228 701 701
  229 999 999
  230 392 392
  231 329 329
  232 55 55
  237 12 12
  255 39 39
  256 8 8
  257 12 12
  273 118 118
  274 20 20
  275 39 39
  276 8 8
  374 8 8
//