ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005775
RECORD_TITLE: TRIFLUOPROMAZINE; 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$NAME: TRIFLUOPROMAZINE
CH$NAME: 10-(3-DIMETHYLAMINO)PROPYL-2-TRIFLUOROMETHYLPHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₉F₃N₂S
CH$EXACT_MASS: 352.12210
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
CH$LINK: INCHIKEY XSCGXQMFQXDFCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023704

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$SPLASH: splash10-0a4i-9013000000-ef47630a3d0764a3497f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  57 1.83 18
  58 99.99 999
  59 5.44 54
  70 3.81 38
  71 2.28 23
  72 3.94 39
  84 3.43 34
  85 17.36 174
  86 30.17 302
  87 1.68 17
  196 1.32 13
  197 1.18 12
  222 1.16 12
  247 1.14 11
  248 5.61 56
  266 6.79 68
  267 4.63 46
  268 1.07 11
  280 3.87 39
  281 2.65 27
  292 1.22 12
  306 16.12 161
  307 8.01 80
  308 2.07 21
  352 28.62 286
  353 6.46 65
  354 2.05 21
//