MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011795
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011795
RECORD_TITLE: PERFLUOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PERFLUOROTOLUENE
CH$NAME: OCTAFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7F8
CH$EXACT_MASS: 235.98723
CH$SMILES: Fc(c(F)1)c(F)c(c(F)c(F)1)C(F)(F)F
CH$IUPAC: InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
CH$LINK: INCHIKEY
USPWUOFNOTUBAD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059993
AC$INSTRUMENT: HITACHI M-80A
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: splash10-014i-9630000000-be76dc75e762f2f1cc94
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
19 1.42 14
31 65.57 656
43 3.47 35
50 8.07 81
55 8.5 85
60 1.91 19
62 1.54 15
67 1.64 16
69 87.71 877
74 16.46 165
79 37.16 372
80 1.8 18
86 11.1 111
91 1.59 16
93 45.25 453
94 1.28 13
98 40.88 409
99 2.25 23
105 3.3 33
108 2.06 21
110 8.67 87
117 99.99 999
118 5.81 58
122 1.35 14
124 3.79 38
129 8.93 89
136 2.75 28
141 2.76 28
148 19.2 192
149 1.46 15
155 2.23 22
167 21.6 216
168 1.54 15
179 4.68 47
186 55.23 552
187 3.47 35
198 1.21 12
217 89.17 892
218 7.18 72
236 31.35 314
237 2.48 25
//
system version 2.2.8-SNAPSHOT