ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005764
RECORD_TITLE: TRIMEPRAZINE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9240000000-3d6ddecfeef1ce4ea2a2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  57 1.43 14
  58 99.99 999
  59 4.27 43
  71 1.12 11
  84 3.24 32
  86 1.82 18
  99 2.79 28
  100 0.79 8
  152 1.17 12
  154 1.81 18
  166 1.23 12
  167 1.97 20
  179 1.3 13
  180 5.65 57
  197 1.14 11
  198 6.97 70
  199 5.63 56
  200 1.16 12
  212 5.9 59
  213 2.02 20
  223 1.47 15
  224 1.26 13
  238 4.41 44
  239 5.54 55
  240 2.13 21
  252 4.4 44
  253 3.61 36
  298 18.43 184
  299 3.83 38
  300 1.28 13
//