MassBank Record: WA001282



 Fluoxetine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 54910-89-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.100 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 //