ACCESSION: MSBNK-Waters-WA001109
RECORD_TITLE: Paroxetine; LC-ESI-Q; MS; POS; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Paroxetine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀FNO₃
CH$EXACT_MASS: 329.14272
CH$SMILES: Fc(c4)ccc(c4)C(C3)C(CNC3)COc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
CH$LINK: CAS 61869-08-7
CH$LINK: INCHIKEY AHOUBRCZNHFOSL-YOEHRIQHSA-N
CH$LINK: COMPTOX DTXSID3023425

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 13.800 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 15 V, 30 V

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

PK$SPLASH: splash10-001i-0009000000-753f1841f9cbadc99d13
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  153 8 8
  192 20 20
  210 12 12
  278 16 16
  330 999 999
  331 184 184
  332 24 24
//