MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010650
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010650
RECORD_TITLE: SARCOPHYTOLIDE; 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$NAME: SARCOPHYTOLIDE
CH$NAME: (1Z,5S,9E,11E)-5,9-DIMETHYL-12-ISOPROPYL-6-OXOCYCLOTETRADECA-1,9,11-TRIENE-1,5-CARBOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H28O3
CH$EXACT_MASS: 316.20384
CH$SMILES: CC(C)C(C2)=C([H])C([H])=C(C)CCC(=O)C(C)(C1)OC(=O)C(C2)=C([H])C1
CH$IUPAC: InChI=1S/C20H28O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14H,5,8,10-13H2,1-4H3/b15-7-,16-9+
CH$LINK: INCHIKEY
PSZUHEPXMXTNIL-CZCKSJKESA-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$SPLASH: splash10-053u-9500000000-df0166861c14d165db17
PK$NUM_PEAK: 161
PK$PEAK: m/z int. rel.int.
40 4.1 41
41 54.6 546
42 5.2 52
43 7.24 72
45 1.9 19
47 18.7 187
48 12.8 128
49 0.8 8
50 4.5 45
51 5 50
52 2.9 29
53 1.88 19
54 4.7 47
55 49.1 491
56 3.8 38
57 0.57 6
58 2 20
59 1.7 17
63 1.1 11
65 0.89 9
66 3.9 39
67 14.5 145
68 2.8 28
69 1.74 17
70 2.1 21
71 6.7 67
74 1.1 11
77 1.59 16
78 3.9 39
79 17.1 171
80 4.8 48
81 1.87 19
82 4.7 47
83 99.99 999
84 7.3 73
85 4.1 41
87 8.7 87
91 24.4 244
92 4.9 49
93 1.94 19
94 5.1 51
95 12 120
96 2.6 26
97 0.36 4
98 1.8 18
99 3.4 34
103 1.8 18
104 0.13 1
105 14.4 144
106 3.1 31
107 17.9 179
108 0.38 4
109 8.3 83
110 2.6 26
111 23.4 234
112 1.26 13
113 1.5 15
115 2.3 23
116 1.4 14
117 0.33 3
118 1.5 15
119 9.9 99
120 4.3 43
121 1.61 16
122 6.3 63
123 6 60
124 3.7 37
125 0.5 5
126 2.5 25
127 1.4 14
128 1.6 16
129 0.25 3
131 4.8 48
132 1.8 18
133 10.5 105
134 1.57 16
135 9.1 91
136 8.3 83
137 4.7 47
138 0.13 1
139 2.4 24
141 1.5 15
143 3.5 35
144 0.14 1
145 5.1 51
146 2.4 24
147 6.7 67
148 0.25 3
149 6 60
150 2.2 22
151 2.6 26
152 0.7 7
153 4.4 44
154 1.2 12
157 2.3 23
158 0.11 1
159 4.6 46
160 1.7 17
161 4.8 48
162 0.21 2
163 2.8 28
164 1.4 14
165 1.8 18
167 0.19 2
171 4.2 42
173 3.9 39
174 1.6 16
175 0.45 5
176 2.8 28
177 2.1 21
178 1.2 12
179 0.14 1
182 8.3 83
183 2 20
185 2.3 23
186 0.21 2
187 6.4 64
188 2.5 25
189 4.1 41
190 0.12 1
191 2.3 23
199 2.1 21
201 2.2 22
202 0.14 1
203 2.7 27
204 1.6 16
205 1.1 11
207 0.17 2
213 1.1 11
214 1.1 11
215 1.4 14
217 0.37 4
218 1.4 14
219 1.1 11
227 3.4 34
228 0.08 1
229 1 10
231 2.3 23
232 3.9 39
233 0.11 1
245 1.9 19
255 1.8 18
256 0.6 6
257 0.06 1
258 0.3 3
259 0.7 7
260 0.4 4
270 0.25 3
271 1.4 14
272 0.9 9
273 1.5 15
274 0.05 1
283 0.5 5
288 1 10
289 0.3 3
298 0.1 1
299 0.3 3
301 0.7 7
316 13 130
317 0.29 3
318 0.4 4
//
system version 2.2.8-SNAPSHOT