MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002839
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002839
RECORD_TITLE: BETA-HIMACHALENE; 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$NAME: BETA-HIMACHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=C([H])C([H])(C(C2)=1)C(C)(C)CCCC(C)1
CH$IUPAC: InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m0/s1
CH$LINK: INCHIKEY
LCOSCMLXPAQCLQ-AWEZNQCLSA-N
AC$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$SPLASH: splash10-014l-5910000000-a93dd80541877ea6cfd2
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
26 0.5 5
27 6 60
29 7.7 77
40 0.1 1
41 29 290
42 2 20
43 6 60
50 0.05 1
51 2.6 26
52 1.2 12
53 7.7 77
54 0.08 1
55 19.6 196
56 6.2 62
57 2.5 25
63 0.11 1
64 1 10
65 6 60
66 1.1 11
67 0.46 5
68 1 10
69 12.5 125
70 2.5 25
71 0.05 1
75 0.8 8
76 0.8 8
77 16.1 161
78 0.41 4
79 13.7 137
80 2.5 25
81 6.5 65
82 0.71 7
83 4.6 46
84 1 10
89 1 10
90 0.06 1
91 30.5 305
92 13.3 133
93 35 350
94 0.62 6
95 3.5 35
96 0.8 8
97 1 10
102 0.06 1
103 3.5 35
104 2 20
105 35.5 355
106 1.18 12
107 16.8 168
108 5.2 52
109 6 60
110 0.08 1
115 5 50
116 2 20
117 68 680
118 0.27 3
119 99.99 999
120 13.6 136
121 44.6 446
122 1.05 11
123 1 10
127 1 10
128 2.7 27
129 0.23 2
130 1.3 13
131 4.6 46
132 2.3 23
133 3.18 32
134 42 420
135 12.7 127
136 1.5 15
141 0.06 1
142 0.6 6
143 1 10
144 0.5 5
145 0.26 3
146 1.2 12
147 20.2 202
148 11.5 115
149 0.16 2
157 0.5 5
159 1 10
161 15 150
162 0.23 2
175 0.6 6
187 0.6 6
189 7.5 75
190 0.11 1
202 0.5 5
203 0.8 8
204 53 530
205 0.87 9
206 0.8 8
//