ACCESSION: MSBNK-Waters-WA002260
RECORD_TITLE: Trimeprazine; 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$NAME: Trimeprazine
CH$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 60 V

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

PK$SPLASH: splash10-0w29-0940000000-3131d810cf36aed4bbbf
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 78 78
  180 200 200
  181 24 24
  199 51 51
  212 501 501
  213 51 51
  214 27 27
  221 24 24
  254 43 43
  299 35 35
//