MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002853
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002853
RECORD_TITLE: BETA-SELINENE; 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$NAME: BETA-SELINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C([H])(C1)CC([H])(C(=C)2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY
YOVSPTNQHMDJAG-QLFBSQMISA-N
AC$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$SPLASH: splash10-0006-9300000000-3d4b0201d19564c6a9f7
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
27 13 130
28 2.5 25
29 19 190
38 0.08 1
39 14.3 143
40 4 40
41 34 340
42 0.03 0
43 13 130
44 0.5 5
50 0.8 8
51 0.31 3
52 1.8 18
53 14 140
54 0.5 5
55 1.72 17
56 2.2 22
57 2.1 21
58 3 30
59 0.05 1
63 1 10
64 0.5 5
65 4.7 47
66 0.02 0
67 15.7 157
68 6.7 67
69 11 110
70 0.12 1
71 0.8 8
77 12 120
78 3.1 31
79 0.17 2
80 34.2 342
81 16.5 165
82 12.5 125
83 0.03 0
84 1.7 17
85 0.6 6
91 14.2 142
92 1.63 16
93 99.99 999
94 15 150
95 12.2 122
96 0.33 3
97 1 10
103 0.8 8
104 0.5 5
105 1.12 11
106 3.8 38
107 20.1 201
108 6.3 63
109 0.17 2
110 2.5 25
111 1.5 15
115 0.8 8
117 0.01 0
119 9.1 91
120 2.8 28
121 30.2 302
122 0.11 1
123 4.6 46
124 0.5 5
128 1 10
129 0.05 1
131 0.6 6
133 4 40
134 3.3 33
135 0.65 7
136 5.6 56
137 1.3 13
138 3 30
145 0.05 1
146 0.6 6
147 12.7 127
148 4.2 42
149 0.15 2
150 0.5 5
159 0.5 5
161 5.8 58
162 0.13 1
163 0.6 6
175 0.8 8
176 0.6 6
189 0.03 0
190 0.5 5
204 9 90
205 1.6 16
206 6 60
//