ACCESSION: MSBNK-Waters-WA001073
RECORD_TITLE: Mianserin; 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$NAME: Mianserin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀N₂
CH$EXACT_MASS: 264.16265
CH$SMILES: CN(C4)CC(c21)N(C4)c(c3)c(ccc3)Cc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
CH$LINK: CAS 24219-97-4
CH$LINK: INCHIKEY UEQUQVLFIPOEMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023317

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 13.200 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$SPLASH: splash10-014i-0190000000-cadf62c2cdda208bec87
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  117 8 8
  118 55 55
  120 16 16
  132 12 12
  144 8 8
  146 35 35
  148 20 20
  158 12 12
  160 8 8
  161 31 31
  172 12 12
  174 12 12
  179 8 8
  194 12 12
  206 12 12
  208 396 396
  209 55 55
  210 8 8
  220 16 16
  222 55 55
  223 8 8
  234 35 35
  235 8 8
  236 8 8
  250 39 39
  251 27 27
  263 149 149
  264 8 8
  265 999 999
  266 172 172
  267 12 12
  279 16 16
//