ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005771
RECORD_TITLE: TRIFLUOPERAZINE; 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$NAME: TRIFLUOPERAZINE
CH$NAME: 10-(3-(4-METHYLPIPERAZIN-1-YL)PROPYL)-2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZINE
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: CAS 117-89-5
CH$LINK: COMPTOX DTXSID1046928
CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5566

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$SPLASH: splash10-08mi-8921200000-2aff2d698385cab14cdb
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  55 9.92 99
  56 9.36 94
  57 6.5 65
  58 13.61 136
  69 1.49 15
  70 76.04 760
  71 21.01 210
  72 3.35 34
  82 1.13 11
  83 3.44 34
  84 6.48 65
  85 7.12 71
  97 3.48 35
  98 0.46 5
  99 5.26 53
  111 5.36 54
  113 99.99 999
  114 9.92 99
  127 22.03 220
  141 34.44 344
  247 1.3 13
  248 11.06 111
  266 13.61 136
  267 12.12 121
  280 9.3 93
  281 3.52 35
  293 1.67 17
  294 2.65 27
  306 11.93 119
  307 7.52 75
  350 1.28 13
  407 45.45 455
  408 8.73 87
//