ACCESSION: MSBNK-Waters-WA000817
RECORD_TITLE: Flecainide; 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$NAME: Flecainide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀F₆N₂O₃
CH$EXACT_MASS: 414.13781
CH$SMILES: C(C2)CNC(C2)CNC(=O)c(c1)c(OCC(F)(F)F)ccc(OCC(F)(F)F)1
CH$IUPAC: InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
CH$LINK: CAS 54143-55-4
CH$LINK: INCHIKEY DJBNUMBKLMJRSA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023054

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 14.100 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$SPLASH: splash10-0udi-0196000000-15d32257815472b608dd
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  107 63 63
  111 12 12
  127 35 35
  135 149 149
  136 8 8
  148 8 8
  153 31 31
  171 8 8
  175 8 8
  181 12 12
  189 24 24
  190 39 39
  203 12 12
  204 8 8
  207 20 20
  209 360 360
  210 20 20
  215 12 12
  216 12 12
  218 239 239
  219 35 35
  225 98 98
  231 8 8
  232 219 219
  233 31 31
  236 90 90
  237 290 290
  238 16 16
  246 8 8
  253 172 172
  254 35 35
  278 8 8
  281 102 102
  282 8 8
  287 8 8
  298 20 20
  301 999 999
  302 71 71
  303 8 8
  314 8 8
  315 27 27
  398 168 168
  399 24 24
  415 39 39
//