ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003698
RECORD_TITLE: PERFLUORO-1,1-DIMETHYLCYCLOPENTANE; 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$NAME: PERFLUORO-1,1-DIMETHYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇F₁₄
CH$EXACT_MASS: 349.97764
CH$SMILES: FC(F)(F)C(C(F)(F)F)(C(F)(F)1)C(F)(F)C(F)(F)C(F)(F)1
CH$IUPAC: InChI=1S/C7F14/c8-2(9)1(6(16,17)18,7(19,20)21)3(10,11)5(14,15)4(2,12)13
CH$LINK: INCHIKEY CIWUYWQUYMZILR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00244104

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$SPLASH: splash10-014i-9400000000-d45f70602e67b2a6b2f8
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  12 0.1 1
  19 0.1 1
  31 10.1 101
  43 0.01 0
  50 1.8 18
  55 0.5 5
  62 0.3 3
  69 99.99 999
  74 1.2 12
  79 0.1 1
  81 0.7 7
  86 0.02 0
  93 6.9 69
  98 0.1 1
  100 15.2 152
  105 0.04 0
  112 1.5 15
  117 0.3 3
  119 3.6 36
  124 0.01 0
  131 16 160
  143 1.5 15
  150 8.8 88
  155 0.04 0
  162 0.8 8
  174 0.1 1
  181 9.7 97
  193 0.08 1
  212 0.6 6
  231 1.2 12
  243 1.7 17
  262 0.01 0
  281 0.2 2
  331 0.2 2
//