ACCESSION: MSBNK-Waters-WA002820
RECORD_TITLE: Mono-isopropyl disopyramide; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mono-isopropyl disopyramide
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0006-0900000000-ba0ece4593ce92b6ab0e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  115 8 8
  116 8 8
  117 20 20
  118 251 251
  119 24 24
  167 137 137
  168 43 43
  179 8 8
  180 16 16
  182 43 43
  192 12 12
  193 67 67
  194 999 999
  195 411 411
  196 63 63
  221 39 39
  239 47 47
  240 8 8
  281 12 12
  298 31 31
  299 8 8
//