MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003478
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003478
RECORD_TITLE: CHOLESTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H46O
CH$EXACT_MASS: 386.35487
CH$SMILES: C(C2([H])3)([H])(C(C)(C4)C(CC(C4)([H])O)=CC3)CCC(C2([H])1)(C)C([H])(CC1)C(CCCC(C)C)([H])C
CH$IUPAC: InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
HVYWMOMLDIMFJA-DPAQBDIFSA-N
CH$LINK: COMPTOX
DTXSID3022401
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0mkr-2954000000-60e7d1f5973e4de33dec
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
43 4.35 44
57 21.26 213
67 3.39 34
69 18.48 185
71 18.71 187
81 33.85 339
82 6.54 65
83 27.45 275
85 5.63 56
93 11.25 113
94 9.84 98
95 38.54 385
96 6.05 61
97 22.54 225
105 13.99 140
106 7.02 70
107 50.86 509
108 16.21 162
109 33.12 331
110 4.45 45
111 13.38 134
113 1.85 19
118 2.9 29
119 14.14 141
120 27.33 273
121 29.18 292
122 8.04 80
123 16.46 165
124 11.15 112
125 18.93 189
131 10.52 105
132 4.98 50
133 20.48 205
134 11.63 116
135 36.41 364
136 7.07 71
137 11.02 110
138 5.1 51
139 3.09 31
143 6.62 66
144 2.3 23
145 35.26 353
146 10.69 107
147 26.09 261
148 8.37 84
149 24.73 247
150 4.07 41
151 8.92 89
152 3.43 34
157 4.71 47
158 13.01 130
159 24.06 241
160 26.21 262
161 37.22 372
162 8.78 88
163 39.11 391
164 6.73 67
165 7.83 78
171 5.87 59
172 2.27 23
173 16.25 163
174 6.73 67
175 8.06 81
176 4.61 46
177 9.47 95
178 20.03 200
179 9.48 95
185 9.04 90
186 3.95 40
187 9.41 94
188 1.69 17
189 5.15 52
191 9.28 93
192 1.18 12
193 6.27 63
199 11.17 112
200 2.9 29
201 6.99 70
203 2.11 21
205 6.36 64
206 5.11 51
207 3.38 34
213 41.13 411
214 11.56 116
215 7.27 73
216 0.86 9
217 4.54 45
219 6.5 65
220 4.87 49
227 7.11 71
228 12.47 125
229 12.65 127
230 2.12 21
231 32.48 325
232 10.66 107
233 5.02 50
241 4.33 43
245 5.43 54
246 11.17 112
247 25.79 258
248 6.97 70
255 40.83 408
256 8.01 80
257 0.64 6
259 3.12 31
260 6.39 64
261 6.06 61
262 2.89 29
273 30.64 306
274 25.37 254
275 89.54 895
276 19.9 199
277 0.89 9
287 1.58 16
300 3.17 32
301 58.98 590
302 13.91 139
303 0.66 7
313 3.65 37
314 2.99 30
326 8.79 88
327 6.67 67
328 2.05 21
329 6.05 61
340 0.89 9
343 0.8 8
353 36.61 366
354 16.54 165
355 3.06 31
368 54.4 544
369 15.07 151
370 2.62 26
371 40.65 407
372 11.83 118
373 0.59 6
386 99.99 999
387 28.74 287
388 4.3 43
//