ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003062
RECORD_TITLE: TRIS(PENTAFLUOROPHENYL)-CARBINOL; 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$NAME: TRIS(PENTAFLUOROPHENYL)-CARBINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉HF₁₅O
CH$EXACT_MASS: 529.97879
CH$SMILES: Fc(c(F)3)c(F)c(F)c(c(F)3)C(O)(c(c(F)2)c(F)c(F)c(F)c(F)2)c(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C19HF15O/c20-4-1(5(21)11(27)16(32)10(4)26)19(35,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25/h35H
CH$LINK: INCHIKEY DEXNEWGHWDRTJC-UHFFFAOYSA-N

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$SPLASH: splash10-014j-1900000000-a55684302c624bdd6a27
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  28 4.1 41
  31 11 110
  69 3 30
  74 0.24 2
  75 3.8 38
  79 4.6 46
  80 2.4 24
  84 0.19 2
  86 1.9 19
  93 11.5 115
  98 6.5 65
  99 0.22 2
  100 1.6 16
  110 1 10
  117 29 290
  118 0.05 1
  124 1.3 13
  129 1.1 11
  137 6 60
  148 0.52 5
  149 3.8 38
  167 36 360
  168 42 420
  169 0.29 3
  181 1.3 13
  195 99.99 999
  196 8.2 82
  265 0.11 1
  296 1.1 11
  343 1 10
  362 22 220
  363 0.62 6
  364 0.9 9
  530 0.6 6
  531 0.1 1
//