MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010637
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010637
RECORD_TITLE: LOBOHEDLEOLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LOBOHEDLEOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H26O4
CH$EXACT_MASS: 330.18311
CH$SMILES: OC(=O)C(C2)=CCCC(C)=CC([H])(O1)C([H])(CCC(C)=CC2)C(=C)C(=O)1
CH$IUPAC: InChI=1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6+,14-12+,16-9+/t17-,18-/m0/s1
CH$LINK: INCHIKEY
SORYERHBQFTRIK-AQJYKDKHSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9720000000-36b48a0f1282284dc92c
PK$NUM_PEAK: 223
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 16 160
43 57 570
44 0.9 9
45 29.5 295
46 6.8 68
50 4.5 45
51 1.14 11
52 6.8 68
53 95.5 955
54 15.9 159
55 7.95 80
56 15.9 159
57 36.4 364
58 4.5 45
59 0.68 7
60 20.5 205
61 6.8 68
63 4.5 45
65 2.05 21
66 11.4 114
67 36.4 364
68 18.2 182
69 3.64 36
70 11.4 114
71 22.7 227
72 4.5 45
73 2.5 25
74 6.8 68
75 6.8 68
76 4.5 45
77 3.4 34
78 9.1 91
79 45 450
80 15.9 159
81 9.5 95
82 25 250
83 31.8 318
84 15.9 159
85 1.36 14
86 4.5 45
87 6.8 68
91 50 500
92 1.14 11
93 31.8 318
94 15.9 159
95 25 250
96 1.14 11
97 16 160
98 11.4 114
99 6.8 68
101 0.68 7
102 4.5 45
103 6.8 68
104 3.8 38
105 4.32 43
106 11.4 114
107 31.8 318
108 11.2 112
109 1.82 18
110 6.8 68
111 11.5 115
112 4 40
113 0.45 5
114 4 40
115 11.5 115
116 6.8 68
117 1.36 14
118 11.5 115
119 29.5 295
120 16 160
121 2.3 23
122 11 110
123 11.5 115
124 9 90
125 0.68 7
126 4.5 45
127 7 70
128 6.5 65
129 1.82 18
130 4.5 45
131 20.5 205
132 6.8 68
133 2.05 21
134 13.6 136
135 13.6 136
136 11 110
137 1.16 12
139 4.5 45
140 4.5 45
141 6.8 68
142 0.6 6
143 11.4 114
144 5.7 57
145 15.9 159
146 0.7 7
147 20.5 205
148 7 70
149 22.7 227
150 1.14 11
151 13.6 136
152 7 70
153 6.8 68
154 0.45 5
155 6.8 68
156 4.5 45
157 11.4 114
158 0.68 7
159 14 140
160 7 70
161 11.4 114
162 0.7 7
163 18.2 182
164 16 160
165 9.1 91
166 0.45 5
167 7 70
168 4.5 45
169 9.1 91
170 0.45 5
171 9.1 91
172 4.5 45
173 11.4 114
174 0.7 7
175 11.5 115
176 9 90
177 11.4 114
178 0.91 9
179 6.8 68
181 4.5 45
182 3 30
183 0.7 7
184 3 30
185 13.6 136
186 9.1 91
187 0.9 9
188 7 70
189 9 90
190 7 70
191 0.7 7
192 7 70
193 9.1 91
194 4.5 45
195 0.45 5
196 4.5 45
197 6.8 68
198 4.5 45
199 0.91 9
200 6.9 69
201 8 80
202 5 50
203 0.9 9
204 5 50
205 7 70
206 4 40
207 0.5 5
208 3.5 35
209 5 50
210 4 40
211 0.7 7
212 4 40
213 10 100
214 5 50
215 0.7 7
216 6.8 68
217 9.1 91
218 6 60
219 0.7 7
220 3 30
221 3 30
222 3 30
223 0.3 3
224 2.5 25
225 3 30
226 2.5 25
227 0.7 7
228 7 70
229 7 70
230 4.5 45
231 0.7 7
232 4.5 45
233 4 40
236 2 20
237 0.2 2
238 4.5 45
239 7 70
240 4.5 45
241 0.7 7
242 5 50
243 4.5 45
244 3 30
246 0.2 2
247 2 20
248 2 20
249 2 20
251 0.5 5
252 4 40
253 4.5 45
254 4 40
255 0.4 4
256 11.4 114
257 4.5 45
262 9.1 91
265 0.23 2
266 6.8 68
267 4.5 45
268 2.3 23
270 0.45 5
284 15.9 159
285 6.8 68
286 2.3 23
294 0.64 6
295 2.3 23
296 2.3 23
297 4.5 45
298 0.23 2
312 25 250
313 6.8 68
314 2.3 23
315 0.23 2
330 6.8 68
331 2 20
332 1.5 15
//