MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002854
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002854
RECORD_TITLE: CLOVENE; 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$NAME: CLOVENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C3)(C2)CC(CC3)(C=1)C([H])(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14+,15-/m0/s1
CH$LINK: INCHIKEY
MKZIRHIVARSBHI-CFVMTHIKSA-N
AC$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$SPLASH: splash10-08i3-9800000000-85deb63289d07ac8c170
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
27 17 170
28 2.6 26
29 17 170
30 0.05 1
38 0.8 8
39 22.8 228
40 4.1 41
41 5.05 51
42 3 30
43 7 70
51 7 70
53 1.65 17
54 2 20
55 22.8 228
56 1.5 15
57 0.01 0
63 2.5 25
64 1.1 11
65 13 130
66 0.28 3
67 14.7 147
68 1.6 16
69 10.5 105
70 0.06 1
71 0.5 5
77 26 260
78 7.1 71
79 2.31 23
80 3 30
81 13 130
82 1.5 15
83 0.12 1
89 1.2 12
90 0.5 5
91 43 430
92 0.72 7
93 19.1 191
94 2.6 26
95 15.1 151
96 0.15 2
97 0.8 8
102 1 10
103 5.3 53
104 0.25 3
105 37.5 375
106 6 60
107 13.7 137
108 0.35 4
109 4.5 45
110 0.5 5
115 7.1 71
116 0.03 0
117 9.6 96
118 2.3 23
119 7.5 75
120 0.95 10
121 5.1 51
122 1 10
123 0.5 5
127 0.12 1
128 3.6 36
129 3.5 35
130 1.8 18
131 0.82 8
132 2.5 25
133 17.5 175
134 3.1 31
135 0.13 1
141 0.8 8
142 0.5 5
143 0.8 8
144 0.06 1
145 5.6 56
146 3.6 36
147 10.5 105
148 0.18 2
159 1.5 15
160 1.2 12
161 99.99 999
162 0.14 1
163 1.1 11
175 2 20
176 0.5 5
189 5.02 50
190 8.1 81
191 0.8 8
204 5.6 56
205 1 10
//