ACCESSION: MSBNK-Waters-WA001378
RECORD_TITLE: p-Chlorodisopyramide; 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: 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 60 V

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

PK$SPLASH: splash10-00b9-0090000000-f059db89dce3ef9a0e3c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  102 12 12
  114 74 74
  118 16 16
  192 16 16
  193 24 24
  194 12 12
  195 16 16
  228 317 317
  229 999 999
  230 266 266
  231 329 329
  232 51 51
  237 27 27
  238 8 8
  255 27 27
  256 8 8
  257 8 8
  273 862 862
  274 145 145
  275 290 290
  276 47 47
  374 8 8
//