ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003666
RECORD_TITLE: 1,2,3,4,7,7-HEXAFLUOROBICYCLO(2.2.1)HEPT-2-ENE; 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$NAME: 1,2,3,4,7,7-HEXAFLUOROBICYCLO(2.2.1)HEPT-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄F₆
CH$EXACT_MASS: 202.02172
CH$SMILES: FC(=C(F)1)C(F)(C2)C(F)(F)C(F)(C2)1
CH$IUPAC: InChI=1S/C7H4F6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H2
CH$LINK: INCHIKEY WOQNGFSORPSJFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90342704

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$SPLASH: splash10-0ul0-2900000000-6def37a76945c55b6de8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  31 7.8 78
  39 3 30
  51 11.3 113
  57 1.05 11
  63 4.2 42
  69 22.8 228
  74 3.1 31
  75 1.06 11
  81 5.7 57
  83 17.7 177
  88 4.6 46
  93 0.81 8
  95 7.4 74
  101 21.1 211
  102 11.3 113
  113 1.71 17
  114 6.1 61
  117 3.8 38
  119 10.2 102
  124 4.57 46
  132 19.9 199
  133 99.99 999
  137 8.8 88
  138 0.06 1
  151 31.9 319
  152 62.8 628
  174 76.1 761
  202 17 170
//