MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002710
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002710
RECORD_TITLE: STIGMASTA-5,24(28)-DIEN-3-OL ACETATE; 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$NAME: STIGMASTA-5,24(28)-DIEN-3-OL ACETATE
CH$NAME: FUCOSTEROL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H50O2
CH$EXACT_MASS: 454.38108
CH$SMILES: C(C)(=O)OC(C4)CC(C3(C)C4)=CCC(C([H])23)(C(C1)([H])C(CC2)(C(C1)C(C)CCC(=CC)C(C)C)C)[H]
CH$IUPAC: InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8,11,20-21,25-29H,9-10,12-19H2,1-7H3/b23-8-/t21-,25+,26+,27-,28+,29+,30+,31-/m1/s1
CH$LINK: CAS
51297-12-2
CH$LINK: INCHIKEY
UKVGAWCNOIELAQ-VXFIQSPPSA-N
AC$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: splash10-0002-5950000000-75ecb8e883695d41567a
PK$NUM_PEAK: 179
PK$PEAK: m/z int. rel.int.
39 2.2 22
40 1.6 16
41 13.4 134
42 2.5 25
43 20 200
44 1.7 17
45 3.4 34
53 0.41 4
54 1.2 12
55 40.6 406
56 3.4 34
57 0.48 5
60 2.2 22
65 2.3 23
66 1.1 11
67 1.54 15
68 3.7 37
69 25.7 257
70 2.9 29
71 0.3 3
77 6.5 65
78 1.7 17
79 16.8 168
80 0.26 3
81 33.1 331
82 5.9 59
83 15.4 154
84 0.22 2
85 2.1 21
91 22.8 228
92 6 60
93 2.26 23
94 4.7 47
95 23.4 234
96 3.2 32
97 1.45 15
98 2.3 23
103 2.5 25
104 2.6 26
105 2.91 29
106 8.9 89
107 24.1 241
108 7.9 79
109 1.69 17
110 3.7 37
111 5.3 53
115 4.3 43
116 0.23 2
117 11.2 112
118 5.8 58
119 15.5 155
120 1.53 15
121 19.5 195
122 5.4 54
123 8.4 84
124 0.16 2
125 1.6 16
127 1.1 11
128 4.5 45
129 0.82 8
130 5 50
131 17.1 171
132 5.9 59
133 1.79 18
134 6.2 62
135 11.5 115
136 2.3 23
137 0.62 6
138 3.5 35
139 1.6 16
141 4.7 47
142 0.38 4
143 17.6 176
144 7.7 77
145 33.7 337
146 1.25 13
147 23.3 233
148 7 70
149 6.7 67
151 0.19 2
152 1 10
153 1.3 13
154 1.2 12
155 0.4 4
156 2.6 26
157 11.6 116
158 12.6 126
159 1.94 19
160 9.6 96
161 18.1 181
162 4.7 47
163 0.45 5
164 1.5 15
165 2.9 29
167 1.8 18
169 0.32 3
170 2.7 27
171 7.3 73
172 4.2 42
173 1.07 11
174 4 40
175 10.8 108
176 3.3 33
177 0.3 3
178 1.5 15
179 1.4 14
181 1.4 14
183 0.38 4
184 1.9 19
185 7.3 73
186 3.4 34
187 0.6 6
188 4.6 46
189 7.6 76
190 2.3 23
191 0.2 2
193 1.7 17
195 1.8 18
197 7.9 79
198 0.37 4
199 9.2 92
200 3.7 37
201 4.7 47
202 2.3 23
203 3.4 34
209 1.7 17
211 10.8 108
212 4.1 41
213 2.42 24
214 8.6 86
215 4.3 43
216 1.5 15
217 0.16 2
225 3.3 33
226 2.8 28
227 8.4 84
228 1.28 13
229 5 50
230 1.1 11
231 1.1 11
239 0.38 4
240 2.3 23
241 3.4 34
242 1.6 16
243 0.36 4
244 1.1 11
252 1.5 15
253 17.8 178
254 0.81 8
255 12.8 128
256 3.4 34
257 1.6 16
266 0.11 1
267 3.1 31
268 1.9 19
269 2 20
271 0.25 3
272 1.6 16
273 9.5 95
274 2.9 29
281 2.73 27
282 9 90
283 5.1 51
284 1.7 17
285 0.15 2
286 3.9 39
287 2.2 22
295 2.2 22
296 99.99 999
297 27.4 274
298 3.3 33
352 2.1 21
379 1.22 12
380 4 40
392 2.4 24
393 1 10
394 3.32 33
395 11.2 112
396 2.2 22
//