MassBank Record: WA002124



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

ACCESSION: WA002124
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 90 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$NAME: 8-Hydroxyamoxapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H16ClN3O2 CH$EXACT_MASS: 329.09310 CH$SMILES: Oc(c4)cc(N=1)c(c4)Oc(c3)c(cc(Cl)c3)C1N(C2)CCNC2 CH$IUPAC: InChI=1S/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2 CH$LINK: CAS 61443-78-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.600 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$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0190000000-31788d9243884d301471 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 109 27 27 120 24 24 134 31 31 135 55 55 153 67 67 180 47 47 181 51 51 182 16 16 183 16 16 188 24 24 189 24 24 190 12 12 191 12 12 193 12 12 195 12 12 196 16 16 198 12 12 204 12 12 205 31 31 206 16 16 207 20 20 209 999 999 210 86 86 211 16 16 216 63 63 217 27 27 218 35 35 219 20 20 220 12 12 221 16 16 222 12 12 223 31 31 224 20 20 231 35 35 232 12 12 233 16 16 242 20 20 243 16 16 244 121 121 245 27 27 246 59 59 250 31 31 251 31 31 252 12 12 257 20 20 259 71 71 260 20 20 261 51 51 269 12 12 270 16 16 271 12 12 285 51 51 287 290 290 288 35 35 289 94 94 313 47 47 315 16 16 330 90 90 331 16 16 332 27 27 //