ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011502
RECORD_TITLE: ANTI-4,5,6,8-TETRAFLUORO-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE; 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$NAME: ANTI-4,5,6,8-TETRAFLUORO-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈F₄
CH$EXACT_MASS: 322.13446
CH$SMILES: Cc(c1)c(C3)c(C)c(CCc(c(F)2)c(F)c(C3)c(F)c(F)2)c(C)1
CH$IUPAC: InChI=1S/C19H18F4/c1-9-8-10(2)13-5-7-15-16(20)14(6-4-12(9)11(13)3)17(21)19(23)18(15)22/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY AVGZVIJRPJSSMB-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$SPLASH: splash10-0596-7839000000-1490ef13c6e5bc485bbe
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  30 16.54 165
  32 12.9 129
  39 15.54 155
  41 18.45 185
  43 73.19 732
  44 15.5 155
  58 18.54 185
  91 34.59 346
  105 15.11 151
  115 24.63 246
  117 12.01 120
  128 11.54 115
  129 17.01 170
  130 14.93 149
  131 19.94 199
  145 52.18 522
  146 19.92 199
  176 25.24 252
  256 15.76 158
  272 13.48 135
  287 25.79 258
  289 12.83 128
  292 13.57 136
  302 36.51 365
  307 99.99 999
  308 16.61 166
  322 60.35 604
  323 19.15 192
//