MassBank Record: WA001087



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

ACCESSION: WA001087
RECORD_TITLE: Mirtazapine; 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$NAME: Mirtazapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H19N3 CH$EXACT_MASS: 265.15790 CH$SMILES: CN(C4)CC(c21)N(C4)c(n3)c(ccc3)Cc(cccc2)1 CH$IUPAC: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 CH$LINK: CAS 61337-67-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.700 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: splash10-0002-0950000000-3aa4f68a3b8461cb72df PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 107 12 12 110 20 20 115 16 16 133 16 16 144 16 16 165 12 12 167 31 31 168 12 12 180 47 47 181 16 16 182 39 39 192 27 27 194 20 20 195 999 999 196 102 102 206 12 12 207 20 20 208 12 12 209 259 259 210 27 27 218 12 12 220 12 12 221 20 20 223 82 82 235 67 67 236 12 12 237 12 12 239 74 74 264 16 16 266 188 188 267 31 31 //