MassBank Record: WA001107



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

ACCESSION: WA001107
RECORD_TITLE: Paroxetine; 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$NAME: Paroxetine CH$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$LINK: CAS 61869-08-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.800 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: splash10-007o-0901000000-7c5404ad89eb641fe90f PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 103 27 27 109 435 435 110 20 20 111 39 39 115 8 8 116 12 12 119 8 8 121 16 16 123 568 568 124 24 24 125 8 8 131 8 8 134 16 16 135 274 274 136 47 47 137 47 47 138 20 20 139 67 67 140 8 8 143 12 12 147 63 63 148 39 39 149 43 43 150 63 63 151 423 423 152 24 24 153 8 8 161 71 71 163 321 321 164 51 51 170 8 8 172 8 8 175 27 27 176 27 27 177 12 12 178 78 78 180 8 8 184 8 8 190 27 27 192 999 999 193 121 121 194 8 8 204 8 8 206 8 8 208 12 12 210 31 31 217 8 8 223 8 8 234 51 51 235 8 8 249 31 31 278 39 39 313 12 12 330 592 592 331 118 118 332 12 12 //