MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008821
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008821
RECORD_TITLE: PENTAFLUOROBENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: PENTAFLUOROBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H3F5O
CH$EXACT_MASS: 198.01041
CH$SMILES: OCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
CH$LINK: INCHIKEY
PGJYYCIOYBZTPU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00196013
AC$INSTRUMENT: HP 5970
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002b-2900000000-f69d5361bdcb5633af4f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
49 15.39 154
51 2.02 20
69 14.79 148
74 7.33 73
75 18.65 187
79 9.61 96
80 7.35 74
81 22.74 227
93 20.89 209
98 14.01 140
99 55.01 550
101 5.15 52
117 33.51 335
119 32.02 320
131 9.05 91
149 23.63 236
150 47.64 476
151 19.38 194
161 28.07 281
167 6.46 65
168 9.51 95
169 15.83 158
177 80.2 802
178 43.92 439
179 2.22 22
181 67.41 674
195 13.79 138
197 44.52 445
198 99.99 999
199 1.93 19
//
system version 2.2.8-SNAPSHOT