MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001884
RECORD_TITLE: 5ALPHA-CHOLESTAN-3ALPHA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: 5ALPHA-CHOLESTAN-3ALPHA-OL
CH$NAME: EPICHOLESTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H48O
CH$EXACT_MASS: 388.37052
CH$SMILES: C(C([H])41)([H])(C(C)(C([H])3CC4)CCC(C3)([H])O)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2
CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23?,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
QYIXCDOBOSTCEI-FLWZNDCUSA-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$SPLASH: splash10-00lr-8963000000-884dec03aaa000f672bc
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
39 4.1 41
40 4.5 45
41 33.9 339
42 5.5 55
43 59.6 596
44 4.5 45
45 1.1 11
53 5.7 57
54 2.5 25
55 56.8 568
56 9.2 92
57 43.5 435
58 2.5 25
59 1 10
65 2.8 28
66 1.9 19
67 36.6 366
68 13.8 138
69 37.4 374
70 6.5 65
71 18.8 188
72 1.1 11
74 1.9 19
77 7.9 79
78 2.2 22
79 31.7 317
80 8.2 82
81 57.3 573
82 13.8 138
83 23.4 234
84 3.8 38
85 5.9 59
87 1.4 14
91 22.2 222
92 6 60
93 40.8 408
94 18.1 181
95 54.3 543
96 8.3 83
97 16 160
98 2.1 21
99 2.5 25
101 1.2 12
104 2.1 21
105 24.7 247
106 14.7 147
107 54 540
108 41.8 418
109 36.9 369
110 7.3 73
111 11.5 115
112 1.7 17
113 2.8 28
115 3 30
117 3.9 39
118 2.6 26
119 18.4 184
120 13.8 138
121 32 320
122 22.4 224
123 22.6 226
124 17.7 177
125 5.8 58
126 1.1 11
127 1 10
128 3 30
129 1.7 17
131 6.8 68
132 2.6 26
133 18.3 183
134 11.4 114
135 24.7 247
136 11.2 112
137 9.5 95
138 4.8 48
139 1.4 14
143 1.5 15
144 1 10
145 11.2 112
146 4.3 43
147 28.7 287
148 20.2 202
149 32.5 325
150 5.1 51
151 4.8 48
152 2.8 28
153 1 10
157 1.1 11
159 8.3 83
160 6.4 64
161 16.7 167
162 8.6 86
163 8.9 89
164 4.2 42
165 53.7 537
166 17.9 179
167 3.5 35
171 1 10
173 7.4 74
174 3.7 37
175 8.1 81
176 4.1 41
177 4 40
178 3.4 34
179 2.4 24
180 1 10
185 1 10
187 5.3 53
188 3.2 32
189 4.6 46
190 7.5 75
191 5.2 52
192 2.7 27
193 1.8 18
198 3.1 31
199 3 30
200 1.3 13
201 11.9 119
202 3.3 33
203 5.2 52
204 2.8 28
205 3.9 39
206 4.1 41
207 1.4 14
208 2.3 23
213 1.7 17
214 1.2 12
215 83.7 837
216 32.8 328
217 44.7 447
218 8.4 84
219 14.9 149
220 4.1 41
229 3.3 33
230 9.6 96
231 17.3 173
232 10.7 107
233 99.99 999
234 64.7 647
235 10.6 106
236 1 10
243 1.2 12
246 1.9 19
247 2.8 28
248 17.8 178
249 3.5 35
255 1.4 14
257 7.4 74
258 1.7 17
259 1 10
260 1 10
261 1.2 12
262 18.5 185
263 5.2 52
264 1 10
273 2.2 22
274 1.3 13
275 1.6 16
285 2.3 23
288 1.7 17
289 1.5 15
301 1.1 11
315 1.2 12
316 3.6 36
331 3.7 37
332 1 10
338 1.4 14
355 26.7 267
356 7.6 76
357 1.4 14
359 3 30
369 1.8 18
370 10.1 101
371 5.2 52
372 1.6 16
373 39.7 397
374 11.6 116
375 1.6 16
386 6.6 66
387 2.4 24
388 92.4 924
389 27.5 275
390 4.1 41
//