MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002697
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002697
RECORD_TITLE: LANOST-8-EN-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$NAME: LANOST-8-EN-3-OL
CH$NAME: DIHYDROLANOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H52O
CH$EXACT_MASS: 428.40182
CH$SMILES: C(C4(C)1)CC(O)C(C)(C)C(CCC(=C34)C(C(CC3)(C)2)(C)CCC2([H])C([H])(C)CCCC(C)C)1[H]
CH$IUPAC: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
CH$LINK: CAS
79-62-9
CH$LINK: INCHIKEY
MBZYKEVPFYHDOH-BQNIITSRSA-N
CH$LINK: COMPTOX
DTXSID101000181
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$SPLASH: splash10-0002-2964200000-c6d292b0916d62ea8526
PK$NUM_PEAK: 260
PK$PEAK: m/z int. rel.int.
43 2.8 28
55 8 80
57 8.4 84
67 4.8 48
69 17.9 179
70 1.7 17
71 9.5 95
77 0.21 2
78 1.1 11
79 8.9 89
81 14.4 144
82 0.25 3
83 17.8 178
84 2.1 21
85 3.5 35
91 1.01 10
92 2 20
93 15 150
94 3.7 37
95 3.45 35
96 3.9 39
97 17.5 175
103 1.6 16
105 1.98 20
106 4.8 48
107 22 220
108 4.5 45
109 2.41 24
110 3.5 35
111 14.3 143
112 2 20
113 0.18 2
115 4.1 41
116 1.6 16
117 5.5 55
118 0.26 3
119 27.3 273
120 6 60
121 28.2 282
122 0.76 8
123 17.6 176
124 2.5 25
125 5.9 59
127 0.24 2
128 4.9 49
129 5.8 58
130 3.2 32
131 1.27 13
132 4.7 47
133 20.4 204
134 7.9 79
135 2.61 26
136 6.4 64
137 7.9 79
139 3.5 35
141 0.44 4
142 4.3 43
143 10 100
144 4.2 42
145 1.96 20
146 4.7 47
147 20.5 205
148 5.4 54
149 1.64 16
150 2.8 28
151 4.6 46
152 3 30
153 0.49 5
154 2.9 29
155 4.4 44
156 3.8 38
157 1.28 13
158 4.7 47
159 20.3 203
160 6.5 65
161 2.64 26
162 4.4 44
163 10 100
164 2.8 28
165 0.57 6
166 2.5 25
167 3.3 33
168 2.1 21
169 0.69 7
170 3.1 31
171 14.1 141
172 4.9 49
173 1.92 19
174 4.7 47
175 13.8 138
176 3.3 33
177 0.51 5
178 2.3 23
179 5.4 54
180 2.7 27
181 0.31 3
182 1.7 17
183 6 60
184 3.2 32
185 1.21 12
186 6.1 61
187 22 220
188 6.2 62
189 1.78 18
190 4.2 42
191 6.3 63
192 2 20
193 0.76 8
194 2.2 22
195 3.7 37
196 2.4 24
197 0.61 6
198 3.7 37
199 9.9 99
200 3.7 37
201 1.24 12
202 5.1 51
203 12.4 124
204 7.5 75
205 1.38 14
206 6.9 69
207 5.7 57
208 1.7 17
209 3.7 37
210 2.7 27
211 4.5 45
212 3.7 37
213 1.08 11
214 6 60
215 14.5 145
216 4.3 43
217 0.45 5
218 1.3 13
219 7 70
220 2.4 24
221 0.3 3
222 1.8 18
223 3.9 39
224 2.1 21
225 0.65 7
226 2.9 29
227 15.6 156
228 5.5 55
229 1.54 15
230 3.6 36
231 6.3 63
233 5.1 51
234 0.24 2
235 1.9 19
236 1.9 19
237 3.3 33
238 0.24 2
239 6.4 64
240 5.6 56
241 16.2 162
242 0.34 3
243 8.9 89
244 2.9 29
245 7.7 77
246 0.33 3
247 7.8 78
248 2.9 29
249 2.3 23
251 0.23 2
252 2.5 25
253 6.6 66
254 5.2 52
255 1.27 13
256 3.7 37
257 8.3 83
258 4.4 44
259 1.17 12
260 3.4 34
261 8 80
262 2.6 26
265 0.16 2
267 3.3 33
269 6.7 67
270 3.6 36
271 1.12 11
272 4.7 47
273 16.4 164
274 6.7 67
275 0.69 7
276 2.8 28
279 2.2 22
281 2.8 28
282 0.32 3
283 6.7 67
284 2.7 27
285 3.5 35
286 0.36 4
287 4 40
288 3.4 34
289 1.6 16
293 0.24 2
295 5.1 51
296 2.7 27
297 16.9 169
298 0.42 4
299 7.6 76
300 2.4 24
301 4.6 46
311 0.5 5
312 1.8 18
313 6.3 63
314 3 30
315 0.67 7
316 2.3 23
327 4.2 42
328 3 30
329 2.7 27
331 0.14 1
337 1.5 15
339 4.9 49
340 2.7 27
341 0.7 7
342 2.9 29
343 2 20
351 1.4 14
353 0.31 3
354 2 20
355 2.7 27
365 6 60
366 0.27 3
367 5.7 57
368 2.2 22
373 2.1 21
377 0.54 5
378 9.7 97
379 6.2 62
380 3.5 35
381 0.21 2
382 1.6 16
389 2 20
391 3.4 34
392 0.32 3
393 13.1 131
394 6 60
395 99.99 999
396 36.4 364
397 7.7 77
398 2.2 22
399 2.3 23
405 0.2 2
406 3.6 36
407 1.6 16
408 7.7 77
409 0.47 5
410 12.6 126
411 19.4 194
412 8.1 81
413 8.59 86
414 26.8 268
415 5.2 52
424 2.4 24
426 0.75 8
427 3.6 36
428 13.5 135
429 5.1 51
//