ACCESSION: MSBNK-Waters-WA002822
RECORD_TITLE: Mono-isopropyl disopyramide; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-000b-0790000000-a1d4cb0ca61c78c59abc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  118 8 8
  143 8 8
  156 24 24
  182 12 12
  194 270 270
  195 932 932
  196 157 157
  197 12 12
  221 43 43
  222 16 16
  239 999 999
  240 153 153
  241 16 16
  280 59 59
  281 219 219
  282 43 43
  298 63 63
  299 12 12
//