MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002832
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002832
RECORD_TITLE: EREMOPHILENE; 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$NAME: EREMOPHILENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C(C1)CC(C)(C(C)2)C(=CCC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m0/s1
CH$LINK: INCHIKEY
QEBNYNLSCGVZOH-GZBFAFLISA-N
CH$LINK: COMPTOX
DTXSID30144729
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: splash10-052f-8900000000-2081ccdb77b81bd5479e
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 20.5 205
28 1.5 15
29 2.47 25
30 0.5 5
37 0.5 5
38 0.8 8
39 3.13 31
40 7.7 77
41 86.5 865
42 7.2 72
43 1.86 19
50 1.3 13
51 8.1 81
52 4.5 45
53 3.21 32
54 3.7 37
55 51.5 515
56 3.1 31
57 0.43 4
58 1 10
59 0.5 5
62 0.5 5
63 0.03 0
64 2.2 22
65 19.5 195
66 9 90
67 3.85 39
68 11.3 113
69 26.3 263
70 2.5 25
71 0.18 2
72 0.8 8
73 1 10
74 0.8 8
75 0.02 0
76 1 10
77 44 440
78 12.2 122
79 9.55 96
80 16.7 167
81 56 560
82 8.1 81
83 0.06 1
84 0.8 8
85 0.6 6
87 0.8 8
88 0.01 0
89 2.1 21
90 1.5 15
91 91 910
92 2.72 27
93 95.5 955
94 30 300
95 50.5 505
96 0.86 9
97 11.3 113
98 1.1 11
102 1.2 12
103 0.56 6
104 4 40
105 82 820
106 26.7 267
107 99.99 999
108 57.7 577
109 22.6 226
110 2.7 27
111 0.08 1
115 7.2 72
116 3.5 35
117 10 100
118 0.72 7
119 86.5 865
120 26.3 263
121 43.5 435
122 0.19 2
123 11.3 113
124 1.3 13
127 1.8 18
128 0.35 4
129 3.2 32
130 1.7 17
131 6.8 68
132 0.28 3
133 56.5 565
134 28.1 281
135 44.5 445
136 1.08 11
137 1.1 11
141 1 10
142 0.6 6
143 0.01 0
144 0.6 6
145 5.5 55
146 2.7 27
147 4.26 43
148 17.2 172
149 6.7 67
150 1 10
159 0.13 1
160 2.7 27
161 95.5 955
162 25.3 253
163 0.67 7
164 0.8 8
173 0.5 5
174 0.5 5
175 1.05 11
176 5.7 57
177 1 10
187 0.5 5
189 0.42 4
190 7.2 72
191 0.5 5
203 1 10
204 5.31 53
205 9.5 95
206 0.8 8
//