ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011509
RECORD_TITLE: SYN-15-TERT-BUTYL-18-METHOXY-5,6,7,9-TETRAFLUORO-2,11-DITHIA(3.3)METACYCLOPHANE 2,2,11,11-TETRAOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TASHIRO M, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: SYN-15-TERT-BUTYL-18-METHOXY-5,6,7,9-TETRAFLUORO-2,11-DITHIA(3.3)METACYCLOPHANE 2,2,11,11-TETRAOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₂F₄O₅S₂
CH$EXACT_MASS: 494.08448
CH$SMILES: COc(c32)c(cc(C(C)(C)C)c3)CS(=O)(=O)Cc(c(F)1)c(F)c(CS(=O)(=O)C2)c(F)c(F)1
CH$IUPAC: InChI=1S/C21H22F4O5S2/c1-21(2,3)13-5-11-7-31(26,27)9-14-16(22)15(18(24)19(25)17(14)23)10-32(28,29)8-12(6-13)20(11)30-4/h5-6H,7-10H2,1-4H3
CH$LINK: INCHIKEY SFAFWMSHCNYYOP-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-6309000000-6e4155214487fbec863f
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  32 13.66 137
  41 17.24 172
  43 14.91 149
  44 8.86 89
  55 13.21 132
  57 18.19 182
  69 9.2 92
  78 6.53 65
  80 6.57 66
  91 11.72 117
  95 6.45 65
  105 8.95 90
  115 7.18 72
  117 9.76 98
  147 8.53 85
  175 16.24 162
  176 17.1 171
  333 7.57 76
  351 99.99 999
  352 24.83 248
  366 32.53 325
  367 6.32 63
  368 1.01 10
  479 1.22 12
  494 3.76 38
  495 1.24 12
//