ACCESSION: MSBNK-Waters-WA001792
RECORD_TITLE: Bepridil; 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$NAME: Bepridil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₄N₂O
CH$EXACT_MASS: 366.26711
CH$SMILES: CC(C)COCC(CN(Cc(c3)cccc3)c(c2)cccc2)N(C1)CCC1
CH$IUPAC: InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
CH$LINK: CAS 64706-54-3
CH$LINK: INCHIKEY UIEATEWHFDRYRU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022663

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 17.200 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$SPLASH: splash10-001i-0901000000-e27454cf23b1d6e5a64d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  110 31 31
  112 8 8
  114 12 12
  120 16 16
  132 8 8
  170 35 35
  184 999 999
  185 118 118
  186 8 8
  196 125 125
  197 20 20
  222 12 12
  296 31 31
  297 8 8
  365 8 8
  367 118 118
  368 31 31
//