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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011509

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

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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
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  175 16.24 162
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  367 6.32 63
  368 1.01 10
  479 1.22 12
  494 3.76 38
  495 1.24 12
//

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