MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002857
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002857
RECORD_TITLE: BETA-ELEMENE; 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$NAME: BETA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C(C)=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY
OPFTUNCRGUEPRZ-QLFBSQMISA-N
CH$LINK: COMPTOX
DTXSID60881211
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: splash10-055f-9300000000-0289c8de75fe9d63ecbe
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
26 1.6 16
27 41.6 416
28 9.5 95
29 3.25 33
30 0.8 8
37 0.6 6
38 1.7 17
39 52.5 525
40 1.71 17
41 94.3 943
42 10.3 103
43 16.5 165
44 0.06 1
50 1.7 17
51 9.2 92
52 5.6 56
53 5.13 51
54 4.8 48
55 49.5 495
56 3.6 36
57 0.48 5
58 0.6 6
62 0.5 5
63 2.5 25
64 0.15 2
65 13.3 133
66 9.6 96
67 55.5 555
68 8.05 81
69 22.7 227
70 1.7 17
71 1 10
72 0.06 1
73 0.5 5
74 0.5 5
75 1.2 12
76 0.11 1
77 27 270
78 8.1 81
79 43.3 433
80 0.15 2
81 99.99 999
82 10 100
83 3 30
84 0.06 1
85 0.5 5
86 0.5 5
87 0.5 5
89 0.13 1
90 1.5 15
91 30.5 305
92 10.5 105
93 6.68 67
94 20.5 205
95 20 200
96 2.5 25
97 0.11 1
102 0.5 5
103 2.3 23
104 1.5 15
105 2.26 23
106 9.2 92
107 41.6 416
108 21.3 213
109 0.1 1
110 1.2 12
115 2.2 22
116 1 10
117 0.25 3
118 1.2 12
119 18.2 182
120 7.8 78
121 0.34 3
122 9.2 92
123 10 100
124 1 10
127 0.05 1
128 1.1 11
129 1 10
130 0.5 5
131 0.16 2
132 0.8 8
133 16.6 166
134 8.7 87
135 1.55 16
136 5.8 58
137 0.6 6
145 1.5 15
146 0.08 1
147 23.7 237
148 10.8 108
149 5.5 55
150 0.08 1
159 0.6 6
160 0.6 6
161 21.5 215
162 0.66 7
163 3.5 35
175 4.5 45
176 2.6 26
177 0.05 1
187 0.5 5
189 19.7 197
190 3 30
204 0.83 8
205 1.3 13
//
system version 2.2.8-SNAPSHOT