MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002822
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002822
RECORD_TITLE: BETA-BISABOLENE; 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$NAME: BETA-BISABOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(=C)C([H])(C1)CC([H])=C(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
CH$LINK: INCHIKEY
XZRVRYFILCSYSP-OAHLLOKOSA-N
AC$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$SPLASH: splash10-00kf-9200000000-54f68555ef8db69e1af7
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
26 0.5 5
27 7.3 73
28 1.3 13
29 0.65 7
39 11 110
40 2.3 23
41 68.5 685
42 0.31 3
43 6.6 66
51 2.3 23
52 1.5 15
53 1.16 12
54 1.5 15
55 15 150
56 2 20
57 0.16 2
63 0.8 8
65 4.6 46
66 2.1 21
67 2.55 26
69 99.99 999
70 5.8 58
77 11.7 117
78 0.35 4
79 23.7 237
80 7.5 75
81 10.3 103
82 0.51 5
83 1.5 15
84 0.6 6
91 16.1 161
92 0.11 1
93 69 690
94 26.5 265
95 11 110
96 0.11 1
97 1 10
103 1 10
104 0.5 5
105 1.23 12
106 5.5 55
107 17.5 175
108 6.5 65
109 2.37 24
110 2.1 21
111 0.5 5
115 1.1 11
117 0.13 1
118 0.6 6
119 16.8 168
120 6.5 65
121 0.14 1
122 4.1 41
123 1.1 11
128 0.5 5
131 0.08 1
132 0.8 8
134 8.2 82
135 10.3 103
136 0.03 0
147 4 40
148 2 20
149 0.6 6
157 0.01 0
159 0.5 5
160 0.6 6
161 17.2 172
162 0.26 3
163 0.8 8
175 1 10
176 0.8 8
189 0.42 4
190 0.6 6
202 0.6 6
204 24.5 245
205 4.2 42
//