ACCESSION: MSBNK-Waters-WA002258
RECORD_TITLE: Trimeprazine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-001i-0910000000-eb45545bedfb29398746
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  100 39 39
  109 20 20
  151 20 20
  152 59 59
  153 35 35
  154 16 16
  166 20 20
  167 94 94
  168 20 20
  171 16 16
  178 55 55
  179 204 204
  180 999 999
  181 114 114
  184 24 24
  185 12 12
  192 12 12
  198 27 27
  199 47 47
  206 16 16
  211 12 12
  212 118 118
  213 12 12
  220 16 16
  224 20 20
  238 16 16
//