MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002850
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002850
RECORD_TITLE: ISO-LONGIFOLENE; 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$NAME: ISO-LONGIFOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)(C3)C(C2)(C1)C(=CC3)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
CH$LINK: INCHIKEY
CQUAYTJDLQBXCQ-NHYWBVRUSA-N
CH$LINK: COMPTOX
DTXSID1044518
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: splash10-0imr-4900000000-ae89f064f2cdd8efb22c
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
38 1.7 17
39 41.7 417
40 6.5 65
41 7.47 75
42 5.1 51
43 16.2 162
44 0.5 5
50 0.21 2
51 11 110
52 4.8 48
53 21.1 211
54 0.25 3
55 25.7 257
56 4.1 41
57 3 30
58 0.08 1
62 0.8 8
63 4.6 46
64 2.8 28
65 1.38 14
66 3.6 36
67 14.2 142
68 1.7 17
69 0.16 2
70 1.6 16
71 2.3 23
72 1.3 13
73 0.04 0
74 0.5 5
75 1 10
76 1.2 12
77 2.53 25
78 7.3 73
79 20.6 206
80 4.3 43
81 1.17 12
82 2.6 26
83 3.3 33
84 0.5 5
85 0.05 1
87 0.5 5
89 1.7 17
90 0.8 8
91 3.95 40
92 8.2 82
93 22.1 221
94 9.8 98
95 1.33 13
96 2.2 22
97 1 10
98 0.2 2
101 0.05 1
102 1.5 15
103 4.8 48
104 3.5 35
105 4.33 43
106 9.8 98
107 21.1 211
108 7.2 72
109 0.72 7
110 1.2 12
111 0.6 6
112 0.4 4
115 0.1 1
116 4.5 45
117 10.3 103
118 3.2 32
119 3.83 38
120 11.7 117
121 13 130
122 4.7 47
123 0.32 3
124 0.5 5
126 0.5 5
127 2.5 25
128 0.75 8
129 7 70
130 3.7 37
131 11 110
132 0.43 4
133 41.7 417
134 10 100
135 9.1 91
136 0.35 4
137 1.5 15
138 0.2 2
139 0.5 5
140 0.04 0
141 2.1 21
142 2.1 21
143 4 40
144 0.25 3
145 14.5 145
146 3.7 37
147 17.1 171
148 4.26 43
149 8.2 82
150 1.1 11
151 0.4 4
152 0.05 1
153 0.5 5
155 0.8 8
156 0.5 5
157 0.02 0
158 1.2 12
159 15.8 158
160 5.7 57
161 99.99 999
162 14.5 145
163 2 20
164 0.6 6
173 0.15 2
174 1 10
175 61.5 615
176 10.5 105
177 0.13 1
183 0.6 6
185 0.8 8
187 12.1 121
188 0.21 2
189 31 310
190 5 50
191 0.5 5
192 0.01 0
198 0.2 2
200 0.5 5
201 0.5 5
202 0.05 1
203 1.5 15
204 31.6 316
205 5.3 53
218 0.8 8
//