MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008185
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008185
RECORD_TITLE: DIHYDROLANOSTEROL; 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$NAME: DIHYDROLANOSTEROL
CH$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: 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: splash10-06r6-9720200000-8c73cf86594c8bf58e5d
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
27 4.68 47
29 12.61 126
39 2.87 29
41 41.04 410
42 4.34 43
43 99.99 999
53 3.25 33
54 4.17 42
55 48.42 484
56 4.25 43
57 43.15 432
58 2.11 21
65 1.62 16
67 12.93 129
68 1.53 15
69 48.42 484
70 3.4 34
71 20.59 206
72 1.78 18
77 4.57 46
78 1.22 12
79 11.23 112
80 1.81 18
81 20.84 208
82 2.28 23
83 25.16 252
84 2.15 22
85 5.82 58
91 14.83 148
92 2.3 23
93 17.89 179
94 3.22 32
95 36.21 362
96 3.67 37
97 16.52 165
98 1.73 17
99 1.66 17
103 1.16 12
105 21.26 213
106 3.45 35
107 23.08 231
108 4.45 45
109 19.43 194
110 2.64 26
111 12.77 128
112 1.61 16
113 1.52 15
115 2.09 21
116 1.23 12
117 4.85 49
118 1.89 19
119 20.61 206
120 4.27 43
121 19.49 195
122 4.24 42
123 11.15 112
124 1.43 14
125 4.55 46
127 1.52 15
128 2.49 25
129 4.15 42
130 2.41 24
131 9.05 91
132 2.71 27
133 14.78 148
134 4.14 41
135 19.21 192
136 3.79 38
137 5.67 57
139 2.1 21
141 1.96 20
142 1.72 17
143 4.16 42
144 2.56 26
145 9.81 98
146 3.2 32
147 11.73 117
148 2.71 27
149 8.25 83
150 1.97 20
151 2.7 27
152 1.17 12
153 3.21 32
155 1.66 17
156 1.46 15
157 4.39 44
158 1.69 17
159 10.11 101
160 3.04 30
161 13.42 134
162 2.78 28
163 6.38 64
164 1.49 15
165 2.53 25
169 1.61 16
171 4.3 43
172 1.73 17
173 8.33 83
174 2.57 26
175 9.04 90
176 1.99 20
177 2.48 25
179 2.82 28
183 1.48 15
185 3.89 39
186 2 20
187 10.84 108
188 2.45 25
189 8.41 84
190 1.56 16
191 3.09 31
193 2.59 26
197 1.46 15
199 3.91 39
200 1.57 16
201 4.55 46
202 1.01 10
203 3.49 35
205 3.01 30
206 1.09 11
207 2.46 25
213 3.62 36
214 3.25 33
215 6.9 69
216 1.51 15
217 1.47 15
219 3.31 33
220 1.05 11
225 1.01 10
227 5.28 53
228 1.48 15
229 6.01 60
230 1.21 12
231 1.84 18
233 2.55 26
241 5.92 59
242 1.41 14
243 3.82 38
245 3.09 31
246 1.16 12
247 4.75 48
255 4.13 41
256 1.04 10
257 1.99 20
259 6.53 65
260 1.85 19
261 5.12 51
262 1.2 12
267 1.01 10
269 1.49 15
271 1.55 16
273 11.04 110
274 4.59 46
275 5.86 59
276 1.76 18
281 1.19 12
283 2.5 25
285 1.46 15
287 2.1 21
288 2.24 22
289 1.09 11
297 1.33 13
299 4.7 47
300 1.36 14
301 1.13 11
313 1.53 15
315 1.71 17
355 1.13 11
378 7.77 78
379 1.29 13
395 27.96 280
396 8.78 88
397 2.11 21
398 1.27 13
399 2.04 20
411 1.21 12
412 1.1 11
413 61.7 617
414 24.77 248
415 4.36 44
428 23.61 236
429 7.89 79
430 1.35 14
//