MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001888
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001888
RECORD_TITLE: CHOLEST-3,5-DIENE; 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$NAME: CHOLEST-3,5-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H44
CH$EXACT_MASS: 368.34430
CH$SMILES: C(C3([H])4)(C)(C([H])(CC4)C(CCCC(C)C)([H])C)CCC(C3([H])1)([H])C(C)(C2)C(C=CC2)=CC1
CH$IUPAC: InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
RLHIRZFWJBOHHD-HKQCOZBKSA-N
AC$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: splash10-05mp-6921000000-3279ad60b13326a18be4
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
39 4.8 48
40 1.3 13
41 47.9 479
42 4.9 49
43 78.1 781
45 1.8 18
53 8.4 84
54 1.4 14
55 54.7 547
56 5 50
57 44 440
58 2 20
59 1 10
65 0.47 5
66 2.2 22
67 41.9 419
68 5.1 51
69 30.7 307
70 3 30
71 22.5 225
72 1.3 13
77 16 160
78 6.1 61
79 40.3 403
80 6.9 69
81 85.6 856
82 8.1 81
83 19.5 195
84 1.5 15
85 5 50
89 1 10
90 1 10
91 52.7 527
92 15.4 154
93 46.5 465
94 13.4 134
95 47.2 472
96 4.8 48
97 11.9 119
100 1.1 11
103 4.6 46
104 5.5 55
105 63 630
106 20.6 206
107 57 570
108 21.5 215
109 28.9 289
110 3.5 35
111 7.4 74
112 1.1 11
113 1.2 12
114 1.2 12
115 7.6 76
116 5 50
117 21.8 218
118 10 100
119 28.3 283
120 37.3 373
121 35.5 355
122 9.4 94
123 12.9 129
124 1.7 17
125 2.3 23
127 2.6 26
128 9.2 92
129 15.5 155
130 8.6 86
131 28.9 289
132 8.4 84
133 31.5 315
134 8.9 89
135 25.9 259
136 5.5 55
137 5.4 54
141 4.8 48
142 5.7 57
143 29.6 296
144 11.3 113
145 66.3 663
146 22.9 229
147 82.5 825
148 18.6 186
149 17.9 179
150 3 30
151 4.2 42
152 1.1 11
153 1.7 17
155 3.9 39
156 2.4 24
157 13.2 132
158 11.8 118
159 26.5 265
160 20 200
161 21.4 214
162 6.1 61
163 11.3 113
164 1.6 16
165 2.8 28
167 1.2 12
169 2.3 23
170 1.1 11
171 7.4 74
172 3.5 35
173 7.3 73
174 4.3 43
175 6.5 65
176 2.3 23
177 3.5 35
179 1.5 15
183 1.9 19
184 1 10
185 7.6 76
186 3 30
187 4.1 41
188 1 10
189 2.3 23
190 1 10
191 3.4 34
192 1 10
193 3.7 37
197 2.3 23
198 1.4 14
199 8.6 86
200 4.7 47
201 6.5 65
202 1.6 16
203 1.6 16
205 7.3 73
206 5.3 53
207 1.9 19
211 1 10
212 1.7 17
213 27.7 277
214 7.5 75
215 3.3 33
216 1.4 14
217 3.6 36
218 2.1 21
219 2.6 26
227 2.8 28
228 6.6 66
229 3.8 38
230 1 10
231 1.1 11
232 1.2 12
239 1.1 11
241 2.4 24
242 1.1 11
245 5 50
246 5 50
247 36.9 369
248 8.5 85
249 1.4 14
254 1.2 12
255 28.7 287
256 6.4 64
257 1.3 13
258 1.2 12
259 4.4 44
260 25.5 255
261 8.8 88
262 1.8 18
274 2.2 22
275 1.3 13
283 3.1 31
284 1.3 13
314 1 10
326 4 40
327 1.3 13
339 2.2 22
340 1.3 13
353 31.1 311
354 9.1 91
355 1.5 15
367 2.6 26
368 99.99 999
369 31.5 315
370 4.8 48
//