ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005787
RECORD_TITLE: TRIFLUOPROMAZINE; 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$NAME: TRIFLUOPROMAZINE
CH$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: 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$SPLASH: splash10-0udi-3019000000-dc3f041820258623fda5
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  52 1.21 12
  56 4.07 41
  57 7.68 77
  58 43.4 434
  60 4.21 42
  61 4.29 43
  63 1.64 16
  68 1.04 10
  71 1.51 15
  72 4.68 47
  74 3.21 32
  75 1.69 17
  79 1.43 14
  82 1.69 17
  83 1.43 14
  84 2.21 22
  85 2.38 24
  86 15.27 153
  88 2.3 23
  94 1.04 10
  100 2.56 26
  113 1.51 15
  114 1.04 10
  123 1.17 12
  137 1.04 10
  149 1.12 11
  214 1.12 11
  248 5.12 51
  249 1.25 13
  250 1.21 12
  262 1.12 11
  266 1.08 11
  267 4.99 50
  268 6.9 69
  269 2.21 22
  274 1.04 10
  276 1.17 12
  282 2.12 21
  284 1.08 11
  288 1.43 14
  294 2.34 23
  296 2.82 28
  297 1.04 10
  307 2.34 23
  308 1.69 17
  310 1.9 19
  333 44.4 444
  334 9.63 96
  335 4.03 40
  336 1.21 12
  350 1.43 14
  351 11.63 116
  352 69.14 691
  353 99.99 999
  354 21.87 219
  355 7.55 76
  356 2.43 24
  381 11.45 115
  382 2.38 24
  393 1.47 15
//