MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004616
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004616
RECORD_TITLE: (6E,10E)-1-ACETOXY-14-(1-HYDROXY-1-METHYLETHYL)-2,3-EPOXY-3,7,11-TRIMETHYLCYCLOTETRADECADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (6E,10E)-1-ACETOXY-14-(1-HYDROXY-1-METHYLETHYL)-2,3-EPOXY-3,7,11-TRIMETHYLCYCLOTETRADECADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H36O4
CH$EXACT_MASS: 364.26136
CH$SMILES: [H]C(C2)=C(C)CCC(C(C)(C)O)C(OC(C)=O)C(O1)C(C)(CCC([H])=C(C)C2)1
CH$IUPAC: InChI=1S/C22H36O4/c1-15-9-7-10-16(2)12-13-18(21(4,5)24)19(25-17(3)23)20-22(6,26-20)14-8-11-15/h10-11,18-20,24H,7-9,12-14H2,1-6H3/b15-11+,16-10+
CH$LINK: INCHIKEY
XXYGLMGTBAYLFD-YUCRUYSYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9540000000-8fecaec5e95b04218383
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
15 4 40
17 7 70
18 45.8 458
26 0.3 3
27 22.7 227
28 14.4 144
29 57 570
30 0.38 4
31 60.8 608
39 7.9 79
41 56 560
42 1.08 11
43 99.99 999
44 5.6 56
45 36.4 364
47 0.65 7
53 6.5 65
55 22.2 222
56 10.5 105
57 5.65 57
58 7 70
59 77.2 772
60 3.8 38
61 0.41 4
67 12.5 125
68 22.9 229
69 34.1 341
70 1.1 11
71 11.9 119
72 3.8 38
73 6.5 65
74 3.16 32
77 4.5 45
79 20 200
80 9.1 91
81 6.78 68
82 19.6 196
83 14.1 141
84 7.2 72
85 1.55 16
91 13.8 138
92 6.9 69
93 41.8 418
94 1.65 17
95 31.9 319
96 16.3 163
97 17.5 175
98 1.19 12
99 5 50
105 15.2 152
106 9.2 92
107 3.59 36
108 23.8 238
109 37.1 371
110 18.5 185
111 0.91 9
112 6.5 65
113 3.8 38
115 3.4 34
117 3.18 32
118 5.5 55
119 32.8 328
120 16.5 165
121 3.66 37
122 14.4 144
123 19.2 192
124 8.2 82
125 2.15 22
126 5 50
127 5.1 51
129 3.8 38
131 0.5 5
132 5.1 51
133 16.9 169
134 11.5 115
135 3.42 34
136 10.9 109
137 16.5 165
138 10 100
139 0.61 6
140 3.2 32
141 15.8 158
142 3.9 39
145 0.88 9
146 4.4 44
147 21.5 215
148 12.6 126
149 1.55 16
150 8.9 89
151 9.9 99
152 4.4 44
153 1.58 16
154 5 50
155 20 200
157 8.5 85
159 0.74 7
160 5 50
161 13.9 139
162 5.4 54
163 0.76 8
164 3.2 32
165 3.3 33
166 3.3 33
169 0.39 4
173 13.2 132
174 10 100
175 14.7 147
176 1 10
177 31.5 315
178 3.7 37
179 13.2 132
181 0.68 7
187 3.5 35
188 4.5 45
189 4.9 49
192 0.31 3
205 4.5 45
209 11.2 112
210 8.8 88
211 1.65 17
212 14.8 148
213 25.5 255
214 4 40
215 1.62 16
217 4.5 45
228 3.2 32
231 3.9 39
232 0.38 4
233 3.1 31
234 3.8 38
235 4.2 42
255 0.38 4
261 3.8 38
263 3.8 38
265 41.5 415
266 1.9 19
267 50.7 507
268 49.1 491
269 87.2 872
270 1.49 15
271 56.2 562
272 4.1 41
273 12.4 124
275 0.41 4
286 4.5 45
287 4 40
289 5.8 58
291 0.4 4
304 5.1 51
311 7.8 78
313 11.5 115
315 0.48 5
346 3.5 35
347 1.2 12
364 1.3 13
365 0.5 5
//
system version 2.2.8-SNAPSHOT