ACCESSION: MSBNK-Waters-WA001790
RECORD_TITLE: Bepridil; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-03di-0900000000-13e9bb331ead3c8ef7bb
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  104 39 39
  106 208 208
  107 16 16
  108 27 27
  110 999 999
  111 82 82
  112 106 106
  114 603 603
  115 43 43
  117 78 78
  118 309 309
  119 20 20
  120 133 133
  122 8 8
  126 20 20
  128 59 59
  129 20 20
  130 59 59
  131 8 8
  132 274 274
  133 27 27
  134 8 8
  144 24 24
  145 8 8
  146 12 12
  159 8 8
  165 8 8
  168 8 8
  170 259 259
  171 27 27
  178 8 8
  179 24 24
  180 8 8
  181 16 16
  184 204 204
  185 27 27
  187 16 16
  188 12 12
  194 20 20
  196 384 384
  197 59 59
  222 31 31
  237 12 12
  367 12 12
//