ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003111
RECORD_TITLE: TRIFLUOPERAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: TRIFLUOPERAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₄F₃N₃S
CH$EXACT_MASS: 407.16430
CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1046928

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03kc-9730000000-49438d7f5a4236b51602
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  41 14.9 149
  42 38.9 389
  43 56.9 569
  44 1.89 19
  55 8.9 89
  56 15.9 159
  57 14.9 149
  58 1.29 13
  69 5.9 59
  70 82 820
  71 23.9 239
  83 0.59 6
  84 6.9 69
  85 12.9 129
  96 4.9 49
  97 1.19 12
  98 20.9 209
  99 17.9 179
  111 24.9 249
  112 0.49 5
  113 99.99 999
  114 26.9 269
  127 45.9 459
  139 0.59 6
  141 44.9 449
  152 3.9 39
  153 3.9 39
  157 0.29 3
  184 4.9 49
  196 8.9 89
  197 5.9 59
  202 0.39 4
  222 4.9 49
  234 3.9 39
  247 4.9 49
  248 4.49 45
  249 5.9 59
  260 1.9 19
  266 42.9 429
  267 1.29 13
  280 17.9 179
  281 17.9 179
  291 3.9 39
  292 0.39 4
  293 9.9 99
  294 5.9 59
  306 4.9 49
  307 0.49 5
  336 0.9 9
  350 0.9 9
  362 0.9 9
  407 17.9 179
//