ACCESSION: MSBNK-Waters-WA002910
RECORD_TITLE: N-Desmethylmirtazapine; 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: CC BY-NC

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$LINK: CAS 61337-68-6
CH$LINK: INCHIKEY FGLAMNFOHWVQOH-OAHLLOKOSA-N
CH$LINK: COMPTOX DTXSID001009942

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 11.600 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 45 V

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

PK$SPLASH: splash10-0udj-0490000000-103cce0e9dacc2db6136
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  182 27 27
  195 682 682
  196 74 74
  207 16 16
  209 153 153
  210 16 16
  223 35 35
  235 59 59
  236 12 12
  250 16 16
  252 999 999
  253 157 157
  254 12 12
//