ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011795
RECORD_TITLE: PERFLUOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PERFLUOROTOLUENE
CH$NAME: OCTAFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇F₈
CH$EXACT_MASS: 235.98723
CH$SMILES: Fc(c(F)1)c(F)c(c(F)c(F)1)C(F)(F)F
CH$IUPAC: InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
CH$LINK: INCHIKEY USPWUOFNOTUBAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059993

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-014i-9630000000-be76dc75e762f2f1cc94
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  19 1.42 14
  31 65.57 656
  43 3.47 35
  50 8.07 81
  55 8.5 85
  60 1.91 19
  62 1.54 15
  67 1.64 16
  69 87.71 877
  74 16.46 165
  79 37.16 372
  80 1.8 18
  86 11.1 111
  91 1.59 16
  93 45.25 453
  94 1.28 13
  98 40.88 409
  99 2.25 23
  105 3.3 33
  108 2.06 21
  110 8.67 87
  117 99.99 999
  118 5.81 58
  122 1.35 14
  124 3.79 38
  129 8.93 89
  136 2.75 28
  141 2.76 28
  148 19.2 192
  149 1.46 15
  155 2.23 22
  167 21.6 216
  168 1.54 15
  179 4.68 47
  186 55.23 552
  187 3.47 35
  198 1.21 12
  217 89.17 892
  218 7.18 72
  236 31.35 314
  237 2.48 25
//