ACCESSION: MSBNK-Waters-WA002821
RECORD_TITLE: Mono-isopropyl disopyramide; 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$NAME: Mono-isopropyl disopyramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₃N₃O
CH$EXACT_MASS: 297.18411
CH$SMILES: CC(C)NCCC(C(N)=O)(c(c2)cccc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)
CH$LINK: CAS 38236-46-3
CH$LINK: INCHIKEY UWNSWIXIVDMCHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00959180

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 11.350 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$SPLASH: splash10-0005-0910000000-5abc1fde28cf5b66cd0f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  118 106 106
  119 8 8
  156 12 12
  167 35 35
  168 20 20
  180 8 8
  182 51 51
  183 8 8
  193 8 8
  194 709 709
  195 999 999
  196 176 176
  197 16 16
  221 74 74
  222 12 12
  239 227 227
  240 35 35
  280 12 12
  281 43 43
  282 8 8
  298 47 47
  299 8 8
//