ACCESSION: MSBNK-Waters-WA001791
RECORD_TITLE: Bepridil; 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$NAME: Bepridil
CH$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 60 V

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

PK$SPLASH: splash10-01qa-0900000000-13891bf5e6e21911adca
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  104 12 12
  106 71 71
  110 482 482
  111 27 27
  112 94 94
  114 153 153
  117 16 16
  118 74 74
  120 94 94
  126 24 24
  128 27 27
  130 24 24
  131 8 8
  132 98 98
  133 8 8
  144 12 12
  146 8 8
  148 8 8
  170 227 227
  171 20 20
  184 999 999
  185 121 121
  186 8 8
  187 8 8
  188 12 12
  196 501 501
  197 71 71
  222 43 43
  223 8 8
  296 16 16
  367 47 47
  368 16 16
//