MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009476
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009476
RECORD_TITLE: CONDRILLASTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: CONDRILLASTEROL
CH$NAME: STIGMAST-7,22-DIEN-3-OL(3BETA,5ALPHA,22E,24R)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H48O
CH$EXACT_MASS: 412.37052
CH$SMILES: C(C(C)12)CC(O)CC1(CC=C(C([H])43)C(CCC(C)3C(C(C)C=CC(C(C)C)CC)CC4)2[H])[H]
CH$IUPAC: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: CAS
481-17-4
CH$LINK: INCHIKEY
JZVFJDZBLUFKCA-INYURWPISA-N
AC$INSTRUMENT: HITACHI M-80
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: splash10-0759-9861100000-38bc3494b6c04db1db99
PK$NUM_PEAK: 221
PK$PEAK: m/z int. rel.int.
18 1.9 19
27 3.42 34
28 16.55 166
29 6.46 65
32 4.22 42
39 3.14 31
41 24.4 244
42 3.36 34
43 43.85 439
44 2.55 26
45 2.79 28
53 4.24 42
54 1.7 17
55 43.24 432
56 20.18 202
57 1.49 15
58 2.29 23
59 1.06 11
65 2.07 21
66 1.05 11
67 16.42 164
68 7.34 73
69 37 370
70 5.82 58
71 14.26 143
72 1.98 20
73 1.62 16
74 10.79 108
77 6.32 63
78 1.83 18
79 17.96 180
80 3.9 39
81 51.02 510
82 8.42 84
83 39.4 394
84 6.99 70
85 10.77 108
86 1.21 12
87 1.43 14
89 1.89 19
91 20.03 200
92 4.6 46
93 20.97 210
94 11.89 119
95 27.16 272
96 8.85 89
97 17.13 171
98 4.15 42
99 2.89 29
103 2.31 23
104 4.16 42
105 22.78 228
106 5.68 57
107 33.19 332
108 6.19 62
109 18.25 183
110 5.39 54
111 6.96 70
112 2.59 26
113 2.04 20
114 2.45 25
115 3.2 32
116 2.16 22
117 8.5 85
118 3.41 34
119 17.37 174
120 6.25 63
121 14.58 146
122 5.29 53
123 13.54 135
124 3.91 39
125 4.46 45
126 1.56 16
127 2 20
128 2.89 29
129 5.83 58
130 2.57 26
131 11.64 116
132 4.33 43
133 18.08 181
134 6.92 69
135 17.1 171
136 4.42 44
137 10.85 109
138 3.26 33
139 5.96 60
140 1.43 14
141 2.41 24
142 1.98 20
143 5.63 56
144 2.6 26
145 15.18 152
146 5.45 55
147 22.25 223
148 4.74 47
149 10.81 108
150 2.21 22
151 6.49 65
152 1.83 18
153 1.44 14
154 1.2 12
155 2.29 23
156 1.41 14
157 5.42 54
158 3.17 32
159 14.05 141
160 4.24 42
161 16.63 166
162 3.23 32
163 5.84 58
164 2.61 26
165 4.34 43
166 2.78 28
167 1.36 14
169 1.93 19
171 4.6 46
172 2.01 20
173 8.48 85
174 2.95 30
175 7.24 72
176 2.07 21
177 3.2 32
178 4.9 49
179 2.02 20
183 2.09 21
185 4.58 46
186 1.9 19
187 6.76 68
188 2.05 21
189 3.95 40
190 1.1 11
191 2.52 25
192 1.17 12
193 1.27 13
197 2.29 23
198 1.16 12
199 5.53 55
200 1.95 20
201 7.24 72
202 1.82 18
203 3.12 31
205 1.58 16
211 2.32 23
212 1.06 11
213 12.64 126
214 3.15 32
215 6.22 62
216 1.64 16
217 2.83 28
218 2.39 24
219 3.56 36
220 1.1 11
224 1.27 13
225 1.56 16
227 4.9 49
228 4.49 45
229 17.72 177
230 4.15 42
231 14.6 146
232 5.13 51
233 3.08 31
236 1.65 17
237 1.03 10
239 3.03 30
240 1.21 12
241 2.9 29
242 1.03 10
243 3.64 36
244 2.71 27
245 3.77 38
246 23.34 233
247 9.26 93
248 1.79 18
253 4.42 44
254 1.98 20
255 42.18 422
256 10.46 105
257 10.07 101
258 4.94 49
259 4.35 44
260 1.86 19
261 1.25 13
267 1.45 15
269 3.92 39
270 3.5 35
271 99.99 999
272 28.81 288
273 8.2 82
274 2.12 21
284 1.63 16
285 4.76 48
286 2.96 30
287 1.75 18
299 8.07 81
300 20 200
301 8.04 80
302 1.59 16
309 1.22 12
313 1.7 17
314 2.07 21
327 1.94 19
328 1.14 11
351 5.44 54
352 1.71 17
367 1.15 12
368 1.4 14
369 20.09 201
370 6.2 62
371 1.61 16
380 1.47 15
383 2.15 22
394 1.28 13
395 1.26 13
397 13.21 132
398 4.62 46
399 1.17 12
410 2.06 21
411 1.59 16
412 68.5 685
413 22.36 224
414 4.22 42
//
