ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005778
RECORD_TITLE: TRIMEPRAZINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: TRIMEPRAZINE
CH$NAME: 10-(3-(DIMETHYLAMINO)-2-METHYLPROPYL)PHENOTHIAZINE
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$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0002-1192000000-93fd466d9dd2ccc3c679
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  58 28.92 289
  72 1.84 18
  74 1.3 13
  84 1.43 14
  86 1.92 19
  98 1.08 11
  99 1.08 11
  100 23.07 231
  101 2.16 22
  199 3.61 36
  200 5.88 59
  212 3.49 35
  213 1.05 11
  214 4.43 44
  239 1.83 18
  240 2.98 30
  242 1.59 16
  253 1.72 17
  254 2.34 23
  268 1.77 18
  269 3.67 37
  297 10.96 110
  298 59.15 592
  299 99.99 999
  300 23.65 237
  301 8.29 83
  327 10.59 106
  328 2.66 27
  329 1.14 11
//