ACCESSION: MSBNK-Waters-WA001281
RECORD_TITLE: Fluoxetine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fluoxetine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0159-0930000000-ac8d5329dde812f64460
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  102 43 43
  104 27 27
  105 74 74
  106 24 24
  115 999 999
  116 98 98
  117 168 168
  118 24 24
  127 98 98
  132 43 43
  133 176 176
  134 8 8
  147 20 20
  148 12 12
  153 82 82
  154 39 39
  155 8 8
  159 12 12
  160 16 16
  161 20 20
  163 8 8
  164 8 8
  165 31 31
  166 16 16
  173 63 63
  175 110 110
  178 8 8
  181 102 102
  182 102 102
  183 141 141
  184 8 8
  186 8 8
  191 8 8
  196 12 12
  199 8 8
  201 51 51
  203 47 47
  204 8 8
  211 35 35
  213 8 8
  214 8 8
  216 27 27
  219 8 8
  221 12 12
  223 16 16
  224 8 8
  230 8 8
  231 259 259
  232 20 20
  233 82 82
  234 12 12
  236 20 20
  239 12 12
  241 12 12
  243 8 8
  246 8 8
  249 12 12
  251 110 110
  252 16 16
  259 47 47
  260 16 16
  273 8 8
  310 59 59
  311 8 8
  350 8 8
//