MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006298
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006298
RECORD_TITLE: HEXAMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HEXAMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18
CH$EXACT_MASS: 162.14085
CH$SMILES: Cc(c(C)1)c(C)c(C)c(C)c(C)1
CH$IUPAC: InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
CH$LINK: CAS
87-85-4
CH$LINK: INCHIKEY
YUWFEBAXEOLKSG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3058957
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 30 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-6900000000-31582e2e75d205211df9
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
15 10.37 104
28 9.77 98
29 16.47 165
38 1.27 13
39 23.38 234
40 3.86 39
41 21.05 211
42 2.28 23
43 1.07 11
50 3.75 38
51 12.11 121
52 5.07 51
53 12.15 122
54 1.52 15
55 5.29 53
62 1.27 13
63 6.01 60
64 2.45 25
65 9.57 96
66 2.18 22
67 2.12 21
74 0.93 9
75 1.39 14
76 0.93 9
77 13.85 139
78 4.21 42
79 7.49 75
80 0.84 8
81 1.24 12
89 1.78 18
91 22.84 228
92 2.79 28
93 3.85 39
102 1.33 13
103 4.11 41
104 1.92 19
105 13.91 139
106 2.17 22
107 2.87 29
108 1.23 12
115 11.56 116
116 5.39 54
117 8.75 88
118 1.88 19
119 11.59 116
120 2 20
121 1.01 10
122 0.76 8
127 1.82 18
128 5.65 57
129 5.62 56
130 2.86 29
131 7.15 72
132 2.44 24
133 9.48 95
134 1.4 14
141 0.71 7
143 0.56 6
145 2.38 24
146 1.13 11
147 99.99 999
148 13.17 132
149 0.95 10
160 0.68 7
161 5.99 60
162 55.9 559
163 7.81 78
164 0.67 7
//