MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010666
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010666
RECORD_TITLE: SINULARIOLIDE; 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$NAME: SINULARIOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H30O4
CH$EXACT_MASS: 334.21441
CH$SMILES: CC(C2)=C([H])CCC(C)(O1)C([H])(CC([H])(C3)C(=C)C(=O)OC(C)(C3)C([H])(O)C2)1
CH$IUPAC: InChI=1S/C20H30O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15-17,21H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17+,19-,20+/m1/s1
CH$LINK: INCHIKEY
FONRUOAYELOHDC-ZOOQSLMQSA-N
AC$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: splash10-0006-9500000000-15f153bfd6ca24fc2de6
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
41 59 590
42 5 50
43 99.99 999
44 1.4 14
45 7 70
51 2 20
52 1 10
53 2.9 29
54 4.5 45
55 45 450
56 4 40
57 1 10
58 5 50
59 1.5 15
65 8 80
66 0.5 5
67 39 390
68 24 240
69 27 270
70 0.2 2
71 15 150
72 4 40
73 3 30
74 0.1 1
77 16.5 165
78 3 30
79 30 300
80 0.95 10
81 52 520
82 9 90
83 13 130
84 1.2 12
85 7 70
87 1.5 15
91 18 180
92 0.5 5
93 47 470
94 17 170
95 32 320
96 0.8 8
97 12 120
98 3 30
99 2 20
103 0.1 1
105 17 170
106 7 70
107 26.5 265
108 2 20
109 27 270
110 9 90
111 15.5 155
112 0.3 3
113 2 20
117 4 40
118 2 20
119 1.9 19
120 8 80
121 19 190
122 10 100
123 1.6 16
125 7 70
129 2 20
131 6 60
132 0.4 4
133 15 150
134 9 90
135 17 170
136 0.7 7
137 13 130
138 7 70
139 9 90
140 0.2 2
143 2 20
145 8 80
146 3 30
147 1.7 17
148 6 60
149 11 110
150 6 60
151 1.4 14
152 7 70
153 3 30
154 1 10
155 0.2 2
157 2 20
158 1 10
159 6 60
160 0.3 3
161 10 100
162 4 40
163 10 100
164 0.7 7
165 15 150
166 3 30
167 5 50
168 0.2 2
169 1 10
171 2 20
172 3 30
174 0.2 2
175 5 50
176 3 30
177 7 70
178 0.4 4
179 2 20
180 2 20
185 3 30
186 0.1 1
187 4 40
188 1 10
189 4 40
190 0.2 2
191 4 40
192 3 30
193 7 70
194 0.2 2
197 1.5 15
199 2 20
201 2 20
202 0.1 1
203 3 30
204 2 20
205 6 60
207 0.2 2
209 2 20
211 1 10
213 2 20
215 0.1 1
217 3 30
218 1 10
219 2 20
220 0.1 1
221 3 30
222 1 10
227 1.5 15
229 0.1 1
231 2 20
232 1 10
233 2 20
235 0.2 2
237 1 10
239 1 10
243 1 10
245 0.2 2
247 1 10
251 1.3 13
255 1 10
259 0.12 1
270 1.2 12
273 1.4 14
283 1 10
288 0.12 1
298 2 20
301 0.8 8
316 3.6 36
317 0.1 1
334 2.2 22
335 0.5 5
//