MassBank Record: WA002129



 Amoxapine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002129
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Amoxapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H16ClN3O CH$EXACT_MASS: 313.09819 CH$SMILES: Clc(c4)cc(c(c4)2)C(=Nc(c3)c(ccc3)O2)N(C1)CCNC1 CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2 CH$LINK: CAS 14028-44-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.940 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 90 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0980000000-ddef75b9394746963c49 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 104 27 27 118 39 39 119 39 39 164 129 129 165 31 31 167 16 16 173 12 12 180 16 16 181 12 12 193 999 999 194 121 121 195 12 12 200 71 71 201 12 12 202 27 27 205 12 12 206 16 16 207 31 31 208 27 27 209 20 20 210 20 20 219 12 12 220 27 27 221 12 12 228 153 153 229 12 12 230 78 78 231 12 12 233 16 16 235 43 43 236 12 12 241 12 12 244 20 20 245 24 24 246 12 12 247 12 12 254 27 27 256 16 16 269 63 63 271 321 321 272 47 47 273 110 110 274 12 12 297 51 51 299 16 16 314 59 59 316 20 20 //