ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003665
RECORD_TITLE: DIMETHYL 1,2,3,4,7,7-HEXAFLUOROBICYCLO(2.2.1)HEPTA-2,5-DIENE-5,6-DICARBOXYLATE; 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$NAME: DIMETHYL 1,2,3,4,7,7-HEXAFLUOROBICYCLO(2.2.1)HEPTA-2,5-DIENE-5,6-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₆F₆O₄
CH$EXACT_MASS: 316.01703
CH$SMILES: COC(=O)C(=C(C(=O)OC)1)C(F)(C(F)=2)C(F)(F)C(F)(C(F)2)1
CH$IUPAC: InChI=1S/C11H6F6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h1-2H3
CH$LINK: INCHIKEY QVUKIUJGFLOLQI-UHFFFAOYSA-N

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$SPLASH: splash10-000i-1190000000-af022f4a03e689f95216
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 20.6 206
  31 12.3 123
  43 1 10
  59 2.08 21
  69 2.1 21
  74 0.7 7
  86 0.7 7
  93 0.27 3
  110 0.8 8
  117 4.1 41
  124 2.2 22
  129 0.25 3
  136 7 70
  137 6 60
  143 1 10
  148 0.91 9
  155 0.8 8
  167 1 10
  174 3.3 33
  179 0.64 6
  191 1.3 13
  198 5.7 57
  205 15 150
  207 0.21 2
  223 7.3 73
  235 99.99 999
  236 10.6 106
  251 0.96 10
  257 18.5 185
  263 5.4 54
  266 1.5 15
  285 2.87 29
  286 3.2 32
  297 26.9 269
  301 8 80
  316 7.3 73
//