MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002695
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002695
RECORD_TITLE: ERGOSTA-5,24(28)-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$NAME: ERGOSTA-5,24(28)-DIEN-3-OL
CH$NAME: 24-METHYLENE-CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H46O
CH$EXACT_MASS: 398.35487
CH$SMILES: C(C4)C([H])(C(CCC(C(C)C)=C)C)C(C([H])14)(CCC(C3(C)2)(C([H])(CC=C2CC([H])(O)CC3)1)[H])C
CH$IUPAC: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20?,22-,23-,24+,25-,26-,27-,28+/m0/s1
CH$LINK: CAS
474-63-5
CH$LINK: INCHIKEY
INDVLXYUCBVVKW-FXSBVPLVSA-N
AC$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: splash10-03di-1962000000-57350ffaada83a120f9a
PK$NUM_PEAK: 253
PK$PEAK: m/z int. rel.int.
41 1.3 13
53 1.9 19
55 12.3 123
56 1.6 16
57 3.2 32
65 2.2 22
67 11 110
68 0.28 3
69 20.7 207
70 3.2 32
71 3.4 34
73 1.6 16
77 0.53 5
78 2.8 28
79 19.3 193
80 3.5 35
81 2.97 30
82 5.2 52
83 12.6 126
84 4.1 41
85 0.14 1
94 8.1 81
95 39.1 391
96 7.3 73
97 1.83 18
98 3.5 35
103 3.5 35
104 3.7 37
105 3.9 39
106 11.6 116
107 49.2 492
108 11.8 118
109 2.98 30
110 5.5 55
111 8.4 84
112 1.4 14
113 0.19 2
115 5.8 58
116 3.7 37
117 14.8 148
118 0.96 10
119 32.4 324
120 23.6 236
121 34.5 345
122 1 10
123 19.7 197
124 11.5 115
125 8.8 88
126 0.28 3
127 2.4 24
128 6.3 63
129 12.2 122
130 0.76 8
131 26.8 268
132 12.7 127
133 36.4 364
134 1.54 15
135 30 300
136 7.4 74
137 11.7 117
138 0.44 4
139 1.3 13
141 6.8 68
142 6.3 63
143 2.97 30
144 12.3 123
145 52.6 526
146 17.7 177
147 3.41 34
148 10 100
149 21.6 216
150 6.7 67
151 0.96 10
152 3.3 33
153 1.6 16
156 7.6 76
157 24.3 243
158 26.8 268
159 4.39 44
160 21.7 217
161 41.5 415
162 12.6 126
163 1.88 19
164 5.1 51
165 3.4 34
166 3.2 32
167 0.17 2
168 2.7 27
169 6.6 66
170 3 30
171 1.87 19
172 9.4 94
173 26.2 262
174 12.5 125
175 2.23 22
176 9.8 98
177 11.6 116
178 5.6 56
179 0.26 3
184 4.8 48
185 17.3 173
186 10.2 102
187 1.84 18
188 8.5 85
189 15.3 153
190 6.4 64
191 0.55 6
192 2 20
193 2 20
196 1.6 16
197 14.5 145
198 4.6 46
199 22.2 222
200 6.8 68
201 11.6 116
202 9.5 95
203 1.6 16
204 4.8 48
205 4 40
206 2.3 23
207 0.15 2
208 3 30
209 3.2 32
210 1.7 17
211 2.17 22
212 10.8 108
213 45.6 456
214 15.2 152
215 1.53 15
216 6.4 64
217 9.5 95
218 1.6 16
219 0.3 3
220 3.4 34
221 3.4 34
222 0.17 2
224 2.2 22
225 8.5 85
226 5.7 57
227 1.47 15
228 19.1 191
229 39.1 391
230 12.4 124
231 2.53 25
232 7.4 74
233 0.43 4
236 3.3 33
237 3.7 37
238 2.5 25
239 0.85 9
240 5.2 52
241 9.9 99
242 4.9 49
243 0.58 6
244 4.4 44
245 9.1 91
246 9.4 94
247 0.5 5
248 1.9 19
249 2.4 24
250 2 20
251 0.36 4
252 4.3 43
253 24.5 245
254 11.2 112
255 2.01 20
256 9 90
257 9.2 92
258 7.6 76
259 1.33 13
260 2.8 28
261 2.1 21
262 1.4 14
263 0.15 2
264 1.8 18
265 2.8 28
266 2.4 24
267 0.59 6
268 4.7 47
269 5.4 54
270 6.8 68
271 5.27 53
272 25.7 257
273 10.8 108
274 3 30
275 0.23 2
277 2 20
278 1.9 19
279 3.2 32
280 0.34 3
281 43.3 433
282 14.4 144
283 16.7 167
284 0.58 6
285 6.1 61
286 4.3 43
287 9.9 99
288 0.31 3
289 1.7 17
293 1.6 16
294 1.7 17
295 0.42 4
296 28.1 281
297 12.9 129
298 5.7 57
299 3.81 38
300 15.5 155
301 6.5 65
302 2.4 24
307 0.12 1
308 1.4 14
309 2.2 22
310 2.9 29
311 0.35 4
312 8.2 82
313 9.6 96
314 99.99 999
315 0.72 7
326 2.7 27
327 1 10
328 0.15 2
330 3 30
338 4.1 41
339 2.3 23
340 3.2 32
341 0.16 2
342 1.3 13
343 1.8 18
344 1.3 13
347 0.16 2
349 1.5 15
351 2.5 25
352 2 20
355 0.2 2
358 1.7 17
362 1.4 14
363 2 20
364 0.21 2
365 20.4 204
366 7.5 75
367 2.2 22
369 0.13 1
378 6 60
379 3 30
380 27.4 274
381 0.93 9
382 3.3 33
383 18.2 182
384 5.4 54
385 0.19 2
390 1.6 16
394 2.4 24
399 2.7 27
//
