MassBank Record: JP003062



 TRIS(PENTAFLUOROPHENYL)-CARBINOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //