ACCESSION: MSBNK-Waters-WA001282
RECORD_TITLE: Fluoxetine; 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$NAME: Fluoxetine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₈F₃NO
CH$EXACT_MASS: 309.13405
CH$SMILES: CNCCC(Oc(c2)ccc(c2)C(F)(F)F)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
CH$LINK: CAS 54910-89-3
CH$LINK: INCHIKEY RTHCYVBBDHJXIQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023067

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 15.100 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 60 V

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

PK$SPLASH: splash10-014i-0940000000-387b2deec34001cb2f2b
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  101 12 12
  103 16 16
  105 102 102
  106 8 8
  108 8 8
  111 8 8
  115 999 999
  116 145 145
  117 251 251
  118 27 27
  122 8 8
  127 8 8
  129 31 31
  131 8 8
  132 31 31
  133 43 43
  148 20 20
  153 39 39
  156 8 8
  164 12 12
  166 8 8
  173 59 59
  175 74 74
  176 8 8
  181 31 31
  182 20 20
  183 27 27
  191 8 8
  195 8 8
  201 82 82
  202 12 12
  203 8 8
  208 8 8
  211 8 8
  216 12 12
  217 8 8
  221 8 8
  231 161 161
  232 31 31
  233 12 12
  239 8 8
  241 12 12
  247 8 8
  249 12 12
  251 168 168
  252 20 20
  253 8 8
  259 302 302
  260 31 31
  261 8 8
  265 8 8
  279 16 16
  290 12 12
  310 110 110
  311 16 16
//