MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002827
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002827
RECORD_TITLE: ALPHA-CUBEBENE; 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$NAME: ALPHA-CUBEBENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C([H])(C2)C([H])(C([H])31)C(CC([H])=C(C)3)(C([H])(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14-,15?/m1/s1
CH$LINK: INCHIKEY
XUEHVOLRMXNRKQ-GVLTWOEFSA-N
AC$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$SPLASH: splash10-0bt9-5900000000-4ac14e723c5007dcc4c0
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
26 1 10
27 9.5 95
28 1 10
29 0.82 8
31 0.5 5
39 10.1 101
40 1.1 11
41 3.13 31
42 3 30
43 9.1 91
50 0.5 5
51 0.36 4
52 1.7 17
53 8.8 88
54 0.8 8
55 2.07 21
56 5.6 56
57 2.2 22
58 0.5 5
63 0.15 2
64 0.8 8
65 7.2 72
66 1.3 13
67 0.75 8
68 1.1 11
69 14.2 142
70 3.2 32
71 0.08 1
75 0.8 8
76 0.6 6
77 16.7 167
78 0.53 5
79 13.3 133
80 5.5 55
81 30 300
82 0.03 0
83 1.3 13
89 1.3 13
90 1.2 12
91 3.52 35
92 19.7 197
93 30 300
94 4.6 46
95 0.41 4
96 0.5 5
97 0.5 5
101 0.5 5
102 0.08 1
103 4.5 45
104 3.3 33
105 99.99 999
106 1.18 12
107 15.5 155
108 5.6 56
109 2 20
115 0.63 6
116 3 30
117 8.5 85
118 5.2 52
119 0.93 9
120 30 300
121 5.1 51
122 2.3 23
123 0.12 1
127 1.6 16
128 3.5 35
129 3.5 35
130 0.15 2
131 5 50
132 1.6 16
133 9.8 98
134 0.28 3
135 1.1 11
136 1.2 12
141 1 10
142 0.05 1
143 0.8 8
144 0.5 5
145 3 30
146 0.13 1
147 3.7 37
148 1.1 11
149 0.8 8
150 0.05 1
159 1.6 16
160 2 20
161 98.5 985
162 1.42 14
163 1.1 11
189 1.5 15
204 20.8 208
205 3.6 36
//