MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010639
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010639
RECORD_TITLE: (7Z)-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$NAME: (7Z)-LOBOHEDLEOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H26O4
CH$EXACT_MASS: 330.18311
CH$SMILES: OC(=O)C(C2)=C([H])CCC(C)=C([H])C([H])(O1)C([H])(CCC(C)=C([H])C2)C(=C)C(=O)1
CH$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$LINK: INCHIKEY
SORYERHBQFTRIK-JAQFIYPLSA-N
AC$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: splash10-0k96-9510000000-a3be6b8c82eaba12dbad
PK$NUM_PEAK: 174
PK$PEAK: m/z int. rel.int.
40 8.5 85
41 65.5 655
42 7.5 75
43 3 30
44 3.5 35
45 6 60
51 8.5 85
52 0.5 5
53 99.99 999
54 10 100
55 67 670
56 0.65 7
57 18 180
58 2 20
59 4 40
60 0.7 7
61 1 10
65 18.5 185
66 9.5 95
67 3.1 31
68 17 170
69 27 270
70 6 60
71 1 10
72 3.5 35
73 8 80
74 1.5 15
77 2.65 27
78 8.5 85
79 39 390
80 12.5 125
81 8.15 82
82 18 180
83 18 180
84 10.5 105
85 0.6 6
91 49 490
92 12 120
93 30 300
94 0.3 3
95 20 200
96 3 30
97 8 80
98 0.45 5
99 3 30
103 7 70
104 2 20
105 0.4 4
106 10 100
107 24 240
108 9 90
109 1.1 11
110 6 60
111 4.5 45
112 5 50
113 0.25 3
114 1.5 15
115 6.1 61
116 2 20
117 1.2 12
118 7.5 75
119 29 290
120 9 90
121 2.45 25
122 7 70
123 11.5 115
124 6 60
125 0.2 2
126 1.5 15
127 2 20
128 4 40
129 0.55 6
130 3 30
131 14 140
132 5 50
133 2 20
134 8.5 85
135 15 150
136 8 80
137 0.7 7
138 3.5 35
139 2.5 25
140 1.5 15
141 0.3 3
142 2.5 25
143 5 50
144 3.5 35
145 1.4 14
146 5 50
147 16 160
148 8 80
149 1.8 18
150 6 60
151 10 100
152 6 60
153 0.3 3
155 3 30
157 5.5 55
158 2.5 25
159 0.99 10
160 5.5 55
161 9.9 99
162 6.5 65
163 1.05 11
164 11.5 115
165 9.5 95
166 3.5 35
171 0.7 7
172 3 30
173 7 70
174 3 30
175 0.65 7
176 7 70
177 9 90
178 5.5 55
179 0.45 5
187 6.5 65
188 4.5 45
189 7 70
190 0.4 4
191 3.5 35
192 2 20
193 1.5 15
197 0.3 3
198 2 20
199 7 70
200 3.5 35
201 0.55 6
202 3 30
203 6 60
204 3 30
205 0.2 2
211 2.5 25
213 4.5 45
214 2.5 25
215 0.35 4
216 2 20
217 7.5 75
218 3 30
219 0.25 3
227 3 30
228 2 20
229 4 40
230 0.25 3
231 3.5 35
232 5.5 55
233 2.5 25
239 0.35 4
240 1.5 15
241 2 20
242 1 10
243 0.2 2
256 3.5 35
257 2 20
258 2 20
259 0.2 2
267 2.5 25
268 1.5 15
269 5 50
270 0.15 2
284 11.5 115
285 5 50
286 1.5 15
295 0.35 4
296 2 20
297 3 30
298 1 10
312 1.15 12
313 3 30
314 1 10
315 2 20
316 0.1 1
330 4.5 45
331 1.5 15
//
system version 2.2.8-SNAPSHOT