MassBank Record: WA002127



 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002127
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0029000000-5810deff7cda2952e5b2 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 261 71 71 263 20 20 287 243 243 288 27 27 289 86 86 313 20 20 330 999 999 331 161 161 332 337 337 333 43 43 344 12 12 //