ACCESSION: MSBNK-Waters-WA001789
RECORD_TITLE: Bepridil; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bepridil
CH$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 90 V

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

PK$SPLASH: splash10-03xr-0900000000-143ec5ffb30b7fa1acce
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  103 31 31
  104 98 98
  105 39 39
  106 623 623
  107 39 39
  108 78 78
  110 999 999
  111 90 90
  112 137 137
  113 27 27
  114 948 948
  115 121 121
  117 231 231
  118 842 842
  119 67 67
  120 129 129
  121 8 8
  122 12 12
  126 20 20
  128 55 55
  130 153 153
  131 20 20
  132 819 819
  133 78 78
  134 16 16
  143 12 12
  144 55 55
  145 39 39
  146 20 20
  147 12 12
  152 98 98
  153 8 8
  154 12 12
  155 12 12
  157 8 8
  158 12 12
  159 20 20
  160 8 8
  165 82 82
  166 24 24
  167 31 31
  168 16 16
  169 8 8
  170 102 102
  171 24 24
  175 8 8
  178 35 35
  179 39 39
  180 47 47
  181 39 39
  182 12 12
  183 8 8
  186 8 8
  187 16 16
  188 8 8
  194 20 20
  195 8 8
  196 270 270
  197 43 43
  198 8 8
  206 16 16
  237 20 20
  365 12 12
  367 16 16
  369 8 8
//