MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001876
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001876
RECORD_TITLE: HEXAFLUOROISOPROPYL 3ALPHA-TRIFLUOROACETOXY-12-OXO-5BETA-CHOLAN-24-OATE; 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$NAME: HEXAFLUOROISOPROPYL 3ALPHA-TRIFLUOROACETOXY-12-OXO-5BETA-CHOLAN-24-OATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H37F9O5
CH$EXACT_MASS: 636.24973
CH$SMILES: N/A
CH$IUPAC: N/A
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$SPLASH: splash10-0a5i-7922002000-b385ba4a31502ac76687
PK$NUM_PEAK: 161
PK$PEAK: m/z int. rel.int.
41 20.6 206
42 2.7 27
43 30.3 303
45 2.7 27
50 2.3 23
51 2.1 21
53 10 100
54 9 90
55 90 900
56 4.7 47
57 5 50
65 3.2 32
66 2.9 29
67 44.4 444
68 7.8 78
69 28.8 288
70 1.9 19
71 1.9 19
79 10.3 103
80 5.6 56
81 57.9 579
82 11.8 118
83 24.3 243
84 2.2 22
91 28.5 285
92 6.3 63
93 49.1 491
94 11.5 115
95 42.1 421
96 3.8 38
97 8.4 84
98 1.5 15
99 2.3 23
101 1 10
103 1.6 16
104 1.1 11
105 29.7 297
106 8.8 88
107 46.9 469
108 13 130
109 55.5 555
110 9.4 94
111 3.5 35
113 1.8 18
114 1 10
115 3.3 33
116 1.3 13
117 4.6 46
118 2.2 22
119 19.5 195
120 7.8 78
121 79 790
122 15.1 151
123 33.3 333
124 7.1 71
125 2.9 29
128 2.3 23
129 3.5 35
130 1.1 11
131 9.1 91
132 2.6 26
133 15.2 152
134 4.9 49
135 32 320
136 7.5 75
142 1.8 18
143 4 40
144 1.5 15
145 13.5 135
146 3.3 33
147 26.2 262
148 6.9 69
149 34.3 343
150 5.8 58
151 4.7 47
156 1.6 16
157 3 30
158 1.4 14
159 1.8 18
160 1.5 15
161 10.7 107
162 3.5 35
163 12.3 123
164 3 30
171 3.2 32
173 5.6 56
174 1.1 11
175 7.3 73
176 1.3 13
177 3.8 38
178 1.4 14
179 1 10
181 1.4 14
183 1.3 13
185 3 30
187 4.5 45
189 7.6 76
190 2.8 28
191 3.3 33
192 1.4 14
193 1.2 12
195 2.1 21
197 1.5 15
199 2.8 28
201 2.9 29
203 8.2 82
209 4.4 44
210 1.5 15
213 7.4 74
214 1.7 17
221 1.8 18
225 1.1 11
227 2 20
229 7.6 76
230 2.4 24
231 59.4 594
232 11.7 117
235 1.8 18
243 1.4 14
245 1.3 13
251 6.1 61
253 2.3 23
257 2.6 26
271 6.3 63
272 1 10
290 6.5 65
309 2.6 26
317 1.6 16
331 3.3 33
339 3.2 32
341 1.4 14
343 3.5 35
344 1.5 15
345 59.8 598
346 11.4 114
355 8.7 87
356 2.1 21
357 1 10
358 3 30
359 2 20
360 3.4 34
367 3.6 36
369 1.1 11
371 4 40
372 3.5 35
385 14.9 149
386 3.5 35
399 4.4 44
414 1.2 12
415 3.1 31
427 3.1 31
469 5.8 58
470 1.3 13
479 1.1 11
505 1.8 18
522 8.2 82
523 3.2 32
618 4.7 47
636 99.99 999
637 31.4 314
638 5.8 58
//