MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003062
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
//
system version 2.2.6-SNAPSHOT