ACCESSION: MSBNK-Waters-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: 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 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
//