MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009705
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009705
RECORD_TITLE: ETIOCHOLANOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ETIOCHOLANOLONE
CH$NAME: 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
CH$LINK: INCHIKEY
QGXBDMJGAMFCBF-BNSUEQOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-1890000000-943a0458e0d4232522f5
PK$NUM_PEAK: 157
PK$PEAK: m/z int. rel.int.
43 3.17 32
44 1 10
55 2.72 27
57 2.23 22
58 1.6 16
59 1.47 15
67 5.67 57
68 2.14 21
69 3.82 38
70 2.2 22
71 1.73 17
73 1.3 13
79 4.37 44
80 2.63 26
81 11.5 115
82 7.41 74
83 5.03 50
84 2.71 27
85 2.05 21
91 3.3 33
92 2.6 26
93 12.38 124
94 13.78 138
95 16.2 162
96 6.48 65
97 19.79 198
98 4.91 49
99 1.82 18
105 11.51 115
106 15.94 159
107 26.3 263
108 37.85 379
109 15.58 156
110 9.11 91
111 6.11 61
112 1.6 16
113 1.11 11
117 1.4 14
118 6.36 64
119 12.07 121
120 16.61 166
121 14.74 147
122 14.78 148
123 9.77 98
124 8.75 88
125 3.23 32
127 1.04 10
129 2.5 25
130 1.1 11
131 5.8 58
132 5.18 52
133 12.65 127
134 13.46 135
135 11.5 115
136 14.27 143
137 5.02 50
138 2.16 22
139 1.17 12
143 4.04 40
144 4.85 49
145 14 140
146 6.54 65
147 22.72 227
148 14.32 143
149 14.4 144
150 11.11 111
151 5.94 59
152 2.2 22
153 1.19 12
157 3.68 37
158 9.75 98
159 14.93 149
160 10.63 106
161 23.52 235
162 26.75 268
163 7.4 74
164 10.95 110
165 9.55 96
166 3.41 34
167 1.35 14
169 1.21 12
171 3.54 35
172 3.58 36
173 11.72 117
174 21.5 215
175 12.7 127
176 35.14 351
177 11.49 115
178 4.4 44
179 1.62 16
180 1.13 11
183 1.65 17
185 3.45 35
186 4.65 47
187 8.03 80
188 6.02 60
189 5.27 53
190 8.11 81
191 3.6 36
192 1.33 13
193 1.63 16
197 3.41 34
198 2.05 21
199 8.48 85
200 4.75 48
201 28.56 286
202 7.92 79
203 4.26 43
204 2.79 28
205 1.55 16
211 2.23 22
212 2.24 22
213 17.48 175
214 7.46 75
215 28.67 287
216 44.01 440
217 18.05 181
218 23.93 239
219 5.94 59
220 1.48 15
225 1.01 10
226 1.65 17
227 1.23 12
228 32.18 322
229 17.52 175
230 15.2 152
231 9.55 96
232 2.74 27
233 2.25 23
234 2.8 28
236 1.76 18
239 14.04 140
240 3.73 37
241 1.14 11
243 3.21 32
244 72.02 720
245 14.04 140
246 42.55 426
247 8.76 88
248 2.14 21
254 9.27 93
255 3.6 36
256 1.59 16
257 58.97 590
258 12.17 122
259 1.93 19
262 1.2 12
271 1.99 20
272 61.23 612
273 12.41 124
274 1.92 19
275 5.98 60
276 1.41 14
286 1.04 10
290 99.99 999
291 21.57 216
292 2.88 29
//