MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002696
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002696
RECORD_TITLE: LANOSTA-8,24-DIEN-3-OL; 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$NAME: LANOSTA-8,24-DIEN-3-OL
CH$NAME: LANOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H50O
CH$EXACT_MASS: 426.38617
CH$SMILES: C(C4(C)1)CC(O)C(C)(C)C(CCC(=C34)C(C(CC3)(C)2)(C)CCC2([H])C([H])(C)CCC=C(C)C)1[H]
CH$IUPAC: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
CH$LINK: INCHIKEY
CAHGCLMLTWQZNJ-BQNIITSRSA-N
CH$LINK: COMPTOX
DTXSID1040744
AC$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: splash10-03dl-2953300000-ae1832f19369485ff53c
PK$NUM_PEAK: 271
PK$PEAK: m/z int. rel.int.
41 1.7 17
53 1.5 15
55 11.1 111
56 1.4 14
57 2.9 29
65 2 20
67 7.6 76
68 0.21 2
69 49.3 493
70 3.4 34
71 4 40
77 0.34 3
78 1.1 11
79 10.8 108
81 24.3 243
82 0.43 4
83 13.7 137
84 1.7 17
85 2.2 22
91 1.31 13
92 2.5 25
93 18.5 185
94 3 30
95 3.97 40
96 5 50
97 9.7 97
98 1.4 14
103 0.19 2
104 2.1 21
105 24.9 249
106 4.2 42
107 3.02 30
108 6.2 62
109 60.8 608
110 6.4 64
111 0.9 9
112 1.6 16
115 4.9 49
116 2.3 23
117 0.73 7
118 2.7 27
119 30.5 305
120 8 80
121 3.38 34
122 9.3 93
123 26.2 262
124 3.8 38
125 0.35 4
127 3 30
128 4.8 48
129 6.9 69
130 0.4 4
131 15.1 151
132 5.5 55
133 25.4 254
134 0.82 8
135 33.7 337
136 7.6 76
137 16.7 167
138 0.27 3
139 2.8 28
141 4.4 44
142 4.3 43
143 0.93 9
144 4.1 41
145 23.3 233
146 6.4 64
147 2.68 27
148 7.4 74
149 22 220
150 2.7 27
151 0.52 5
152 3.2 32
153 4 40
154 3 30
155 0.6 6
156 4.6 46
157 12.3 123
158 5.5 55
159 2.5 25
160 8.2 82
161 29 290
162 6.4 64
163 1.29 13
164 2.9 29
165 8.1 81
166 2.6 26
167 0.3 3
168 2.6 26
169 7.5 75
170 3.5 35
171 1.41 14
172 5.1 51
173 22.5 225
174 6.2 62
175 1.99 20
176 3.8 38
177 8.3 83
178 2.4 24
179 0.52 5
180 2.8 28
181 2.8 28
182 2.4 24
183 0.7 7
184 3.5 35
185 11.9 119
186 6.1 61
187 2.8 28
188 6.8 68
189 32.8 328
190 7.1 71
191 1.06 11
192 3.2 32
193 3.7 37
194 1.5 15
195 0.36 4
196 2.6 26
197 7.3 73
198 4.2 42
199 1.08 11
200 4.8 48
201 17.6 176
202 7.3 73
203 22.1 221
204 8.1 81
205 13.9 139
206 4.6 46
207 0.27 3
208 1.9 19
209 4.1 41
210 2.9 29
211 0.51 5
212 4.3 43
213 14.1 141
214 6.8 68
215 2.12 21
216 5.2 52
217 7.5 75
218 2 20
219 0.49 5
220 2.3 23
221 2.3 23
223 3 30
224 0.29 3
225 6.6 66
226 3.5 35
227 15.8 158
228 0.63 6
229 19.6 196
230 4.1 41
231 6 60
232 0.19 2
233 3.7 37
237 2.6 26
238 2.1 21
239 0.71 7
240 5.3 53
241 21.2 212
242 6.3 63
243 1.17 12
244 3.7 37
245 8.2 82
246 3.3 33
247 0.78 8
248 1.7 17
249 1.7 17
251 2.7 27
252 0.15 2
253 6.9 69
254 3.9 39
255 15.3 153
256 0.46 5
257 13.5 135
258 5.7 57
259 16.9 169
260 0.45 5
261 3.1 31
265 1.9 19
266 1.6 16
267 0.45 5
268 2.4 24
269 7.4 74
270 3.7 37
271 1.45 15
272 6.6 66
273 10.8 108
274 3.5 35
275 0.19 2
279 2.7 27
280 2.1 21
281 4 40
282 0.35 4
283 7.5 75
284 2.9 29
285 4.5 45
286 0.24 2
287 2.2 22
288 2 20
293 3.1 31
294 0.14 1
295 6.2 62
296 3 30
297 10.8 108
298 0.34 3
299 5.5 55
300 2.7 27
307 2.1 21
308 0.17 2
309 6 60
310 2.5 25
311 9.3 93
312 0.37 4
313 3.4 34
314 3.1 31
315 6.3 63
316 0.25 3
317 1.2 12
323 6.4 64
324 3.4 34
325 0.7 7
326 3.7 37
327 4.8 48
328 2 20
329 0.2 2
337 4.9 49
338 2.6 26
339 11.2 112
340 0.44 4
341 7.4 74
342 2.8 28
344 1.9 19
350 0.15 2
351 2 20
352 1.8 18
353 2.1 21
355 0.23 2
363 4.9 49
365 6.5 65
366 2.5 25
373 0.27 3
375 2.5 25
376 6.9 69
377 5.3 53
378 3.5 35
379 2.2 22
389 2.3 23
390 1.7 17
391 0.96 10
392 6.4 64
393 86.5 865
394 27.7 277
395 0.53 5
396 3.8 38
397 3.7 37
398 2.5 25
399 0.15 2
404 2.3 23
405 2.1 21
406 5.2 52
407 0.39 4
408 13.7 137
409 15.5 155
410 6.3 63
411 99.99 999
412 32.9 329
413 5.6 56
424 9.1 91
425 0.43 4
426 25.7 257
427 9.4 94
428 2.5 25
//