MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002706
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002706
RECORD_TITLE: BETA-SITOSTEROL-METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-SITOSTEROL-METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H52O
CH$EXACT_MASS: 428.40182
CH$SMILES: CC(C4(C(CCC([H])(C(C)C)CC)([H])C)[H])(C1)C(CC4)(C(C3)(C(C(C2)(C(=C3[H])CC(C2)(OC)[H])C)(C1)[H])[H])[H]
CH$IUPAC: InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
CH$LINK: INCHIKEY
LOUBEXGURAKLSL-VHZNKUSHSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-05ai-5932000000-5f2a2346b2903ef24f15
PK$NUM_PEAK: 262
PK$PEAK: m/z int. rel.int.
39 2.4 24
41 26.5 265
42 4.3 43
43 52.7 527
44 2.3 23
45 4.4 44
52 2.2 22
53 0.51 5
55 44 440
56 3.3 33
57 36.9 369
58 0.36 4
59 1.7 17
63 1.7 17
65 3.2 32
66 0.24 2
67 28.2 282
68 4.1 41
69 31.8 318
70 0.42 4
71 49.1 491
72 3.7 37
73 6.2 62
75 0.18 2
77 10.8 108
78 3.9 39
79 32.2 322
80 0.62 6
81 53.4 534
82 7.7 77
83 16.2 162
84 0.48 5
85 27.8 278
86 3.1 31
91 39.4 394
92 1.06 11
93 44.6 446
94 11 110
95 54.5 545
96 0.66 7
97 24.3 243
98 4.4 44
99 6.8 68
103 0.4 4
104 4.5 45
105 51.9 519
106 18.4 184
107 6.89 69
108 20.7 207
109 35 350
110 6.4 64
111 2.08 21
112 2.8 28
113 2.8 28
115 6.1 61
116 0.41 4
117 17.8 178
118 10 100
119 46.4 464
120 3.41 34
121 47.6 476
122 12.1 121
123 20.5 205
124 0.53 5
125 7.7 77
127 2.7 27
128 5.5 55
129 1.2 12
130 6.6 66
131 31.2 312
132 13.4 134
133 4.32 43
134 14.1 141
135 33.1 331
136 10.9 109
137 1.18 12
138 10.4 104
139 10.2 102
140 1.6 16
141 0.63 6
142 4.8 48
143 21.7 217
144 10.4 104
145 6.12 61
146 20.5 205
147 42.1 421
148 14.5 145
149 2.14 21
150 4.9 49
151 7.4 74
152 3.4 34
153 0.27 3
154 2.1 21
155 5.4 54
156 3.9 39
157 1.58 16
158 16.4 164
159 48.5 485
160 33.5 335
161 4.36 44
162 12 120
163 26.7 267
164 5.1 51
165 0.56 6
166 2.2 22
167 2 20
169 3.2 32
170 0.18 2
171 13.7 137
172 7.5 75
173 29.4 294
174 1.05 11
175 13.3 133
176 4 40
177 14.3 143
178 0.37 4
179 10.1 101
180 3.6 36
181 2.3 23
183 0.38 4
184 1.8 18
185 14.3 143
186 7.5 75
187 15.1 151
188 5 50
189 11.1 111
190 5.9 59
191 1.12 11
192 7.9 79
193 5.1 51
194 1.9 19
195 0.21 2
197 5.4 54
198 2.6 26
199 20.7 207
200 0.79 8
201 14.6 146
202 4.8 48
203 6.5 65
204 0.22 2
205 8 80
206 2.4 24
209 1.6 16
210 0.17 2
211 3.1 31
212 2.8 28
213 48.7 487
214 1.45 15
215 34.4 344
216 11.8 118
217 12.4 124
218 0.27 3
219 4.3 43
220 1.8 18
221 4.4 44
225 0.19 2
226 1.4 14
227 10.9 109
228 14.4 144
229 1.33 13
230 5.6 56
231 4.7 47
232 1.7 17
233 0.54 5
234 4.5 45
235 3.9 39
239 2.8 28
240 0.17 2
241 7.6 76
242 3 30
243 2 20
244 0.18 2
245 9.5 95
246 3.6 36
247 15.4 154
248 0.93 9
249 2.6 26
253 4.5 45
254 2.9 29
255 4.76 48
256 12.2 122
257 5.2 52
258 2 20
259 0.32 3
260 3.4 34
261 5.5 55
262 3.4 34
269 0.27 3
271 2.6 26
273 4.9 49
274 5.5 55
275 2.69 27
276 6.6 66
277 1.6 16
281 1.8 18
283 0.63 6
284 2.5 25
285 3.8 38
286 2.6 26
287 1.19 12
288 7.6 76
289 3.3 33
290 4.1 41
297 0.22 2
299 1.7 17
301 2.8 28
302 10 100
303 3.29 33
304 9.5 95
305 1.3 13
313 1.9 19
314 0.17 2
316 1.2 12
317 1.4 14
327 2.6 26
328 0.39 4
329 27.2 272
330 7.4 74
331 1.8 18
339 0.36 4
340 1 10
341 4.3 43
342 3.9 39
343 0.25 3
351 1.4 14
352 1.5 15
353 4.3 43
354 2.42 24
355 13 130
356 6.8 68
357 29.7 297
358 0.96 10
359 1.9 19
366 2.4 24
367 5.9 59
368 0.62 6
369 2.4 24
371 1.7 17
373 4.6 46
374 0.15 2
379 1.8 18
381 68.5 685
382 22.3 223
383 8.9 89
384 2.4 24
385 1.7 17
386 2.7 27
394 0.33 3
395 3.3 33
398 7.7 77
399 3.4 34
400 3 30
413 2.18 22
414 7.5 75
415 5.1 51
417 1.4 14
426 0.3 3
427 2.2 22
428 27 270
429 8.8 88
430 0.66 7
431 2.5 25
//
