MassBank Record: WA002908



 N-Desmethylmirtazapine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002908
RECORD_TITLE: N-Desmethylmirtazapine; LC-ESI-Q; MS; POS; 75 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$NAME: N-Desmethylmirtazapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H17N3 CH$EXACT_MASS: 251.14225 CH$SMILES: c(c4)cc(C1)c(n4)N(C3)C([H])(CNC3)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2/t15-/m1/s1 CH$LINK: CAS 61337-68-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.600 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0920000000-f2a35f7d0b2eb1ae722d PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 105 35 35 107 35 35 110 51 51 115 110 110 116 16 16 117 35 35 119 27 27 121 27 27 129 16 16 130 35 35 131 39 39 132 16 16 133 27 27 141 16 16 152 24 24 153 20 20 158 12 12 165 71 71 166 20 20 167 106 106 168 55 55 169 12 12 178 24 24 179 12 12 180 168 168 181 55 55 182 90 90 183 12 12 191 12 12 192 55 55 193 20 20 194 180 180 195 999 999 196 118 118 197 27 27 206 31 31 207 67 67 208 20 20 209 360 360 210 39 39 218 12 12 219 43 43 220 20 20 221 39 39 223 39 39 233 12 12 235 47 47 236 12 12 252 74 74 253 12 12 //