ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008309
RECORD_TITLE: TRIFLUOROMETHYL PARA-CHLOROPHENYL THIOETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: TRIFLUOROMETHYL PARA-CHLOROPHENYL THIOETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄ClF₃S
CH$EXACT_MASS: 211.96743
CH$SMILES: Clc(c1)ccc(c1)SC(F)(F)F
CH$IUPAC: InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
CH$LINK: INCHIKEY ATFBQTUDGRJCNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80352857

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-03dl-6940000000-00d79afecce0b1c7be7f
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  38 5.11 51
  39 4.67 47
  45 7.49 75
  50 13.51 135
  51 5.09 51
  57 4.87 49
  58 3.36 34
  61 3.98 40
  62 6.6 66
  63 18.11 181
  69 36.26 363
  73 9.06 91
  74 8.47 85
  75 14.23 142
  76 1.61 16
  81 4.91 49
  82 11.03 110
  85 1.24 12
  99 13.77 138
  101 4.64 46
  107 4.52 45
  108 56.51 565
  109 4.84 48
  110 2.57 26
  111 3.45 35
  127 1.4 14
  142 1.97 20
  143 99.99 999
  144 8.5 85
  145 37.87 379
  146 2.71 27
  147 0.81 8
  193 5.14 51
  194 0.91 9
  195 2.18 22
  212 75.21 752
  213 6.55 66
  214 27.65 277
  215 2.6 26
  216 0.95 10
//