ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011506
RECORD_TITLE: ANTI-4,5,8-TRIFLUORO-6-METHOXY-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$NAME: ANTI-4,5,8-TRIFLUORO-6-METHOXY-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁F₃O
CH$EXACT_MASS: 334.15445
CH$SMILES: COc(c(F)1)c(C3)c(F)c(CCc(c(C)2)c(C)c(C3)c(C)c2)c(F)1
CH$IUPAC: InChI=1S/C20H21F3O/c1-10-9-11(2)14-6-8-16-17(21)15(7-5-13(10)12(14)3)18(22)19(23)20(16)24-4/h9H,5-8H2,1-4H3
CH$LINK: INCHIKEY TXSVAOSOAJANMF-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$SPLASH: splash10-0159-1519000000-61bdf38da46d5187ddc6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41 6.67 67
  77 6.69 67
  91 19.07 191
  105 7.68 77
  115 13.11 131
  116 8.37 84
  128 6.8 68
  129 9.86 99
  130 8.43 84
  131 22.81 228
  145 30.1 301
  146 16.49 165
  158 23.31 233
  167 7.55 76
  286 6.86 69
  287 21.46 215
  288 14.17 142
  298 7.75 78
  302 15.07 151
  303 20.12 201
  318 99.99 999
  319 20.17 202
  320 2.61 26
  333 69.94 699
  334 13.58 136
  335 2.05 21
//