ACCESSION: MSBNK-Waters-WA001086
RECORD_TITLE: Mirtazapine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 61337-67-5
CH$LINK: INCHIKEY RONZAEMNMFQXRA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023325

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.700 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0920000000-c1f245b15d5b723b8ab9
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  105 20 20
  107 24 24
  110 78 78
  115 55 55
  117 24 24
  119 31 31
  121 12 12
  129 12 12
  130 20 20
  131 35 35
  133 51 51
  141 12 12
  144 43 43
  146 12 12
  153 16 16
  165 31 31
  166 12 12
  167 63 63
  168 43 43
  169 12 12
  178 20 20
  180 121 121
  181 39 39
  182 63 63
  183 12 12
  192 35 35
  193 12 12
  194 125 125
  195 999 999
  196 102 102
  206 27 27
  207 51 51
  208 24 24
  209 200 200
  210 27 27
  218 12 12
  219 35 35
  220 20 20
  221 47 47
  223 55 55
  233 12 12
  235 39 39
  239 31 31
  266 31 31
//