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MassBank Record: WA001284

Fluoxetine; LC-ESI-Q; MS; POS; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001284
RECORD_TITLE: Fluoxetine; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-03di-0809000000-b04def13427f8989c15b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  115 16 16
  117 458 458
  118 27 27
  148 349 349
  149 27 27
  164 94 94
  166 43 43
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  189 43 43
  230 8 8
  259 16 16
  265 20 20
  290 16 16
  310 999 999
  311 165 165
  312 12 12
  351 8 8
//

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