MassBank Record: MSBNK-Waters-WA001107
ACCESSION: MSBNK-Waters-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: 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 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
//