ACCESSION: MSBNK-Waters-WA002259
RECORD_TITLE: Trimeprazine; 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: CC BY-NC

CH$NAME: Trimeprazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂N₂S
CH$EXACT_MASS: 298.15037
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
CH$LINK: CAS 84-96-8
CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023708

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 14.740 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

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

PK$SPLASH: splash10-001i-0930000000-b19c47c543ba7d6d9fd4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  100 431 431
  101 31 31
  167 35 35
  178 16 16
  179 121 121
  180 999 999
  181 114 114
  198 31 31
  199 121 121
  200 16 16
  206 20 20
  212 498 498
  213 67 67
  214 27 27
  220 24 24
  221 24 24
  224 12 12
  238 12 12
  254 12 12
  299 12 12
//