MassBank Record: JP001889



 5ALPHA-CHOLEST-3-ENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001889
RECORD_TITLE: 5ALPHA-CHOLEST-3-ENE; 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$NAME: 5ALPHA-CHOLEST-3-ENE CH$NAME: 3-CHOLESTENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H46 CH$EXACT_MASS: 370.35995 CH$SMILES: C(C1)C=CC([H])(C4)C(C(C3([H])C4)([H])CCC(C3([H])2)(C)C([H])(CC2)C(CCCC(C)C)([H])C)(C)1 CH$IUPAC: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
AC$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: splash10-05mo-9822000000-e0bad95790c46a6d8813 PK$NUM_PEAK: 218 PK$PEAK: m/z int. rel.int. 36 8 80 38 3.1 31 39 8.4 84 40 3.6 36 41 61.3 613 42 8.2 82 43 99.99 999 45 29.9 299 46 11.4 114 50 6.8 68 52 2.3 23 53 14.8 148 54 6.5 65 55 85.9 859 56 11.6 116 57 57 570 58 2.4 24 59 12.4 124 65 8 80 66 4.5 45 67 60.1 601 68 16.7 167 69 52 520 70 7.5 75 71 24.6 246 72 1.8 18 73 1 10 74 2.8 28 77 26 260 78 8.5 85 79 74.4 744 80 18.2 182 81 86.4 864 82 17.4 174 83 36.9 369 84 3.8 38 85 4.6 46 87 2 20 89 1.2 12 90 2.4 24 91 72.7 727 92 25.2 252 93 84.1 841 94 33.2 332 95 79.7 797 96 9.5 95 97 23.6 236 98 2.9 29 99 1.9 19 100 8.6 86 101 2.7 27 103 2.9 29 104 10.9 109 105 69 690 106 60.4 604 107 73.4 734 108 44.4 444 109 42.7 427 110 6.5 65 111 33.1 331 112 5.6 56 113 4.2 42 114 2.3 23 115 5.4 54 116 1 10 117 12.5 125 118 5.7 57 119 35.3 353 120 20.7 207 121 36.2 362 122 14.3 143 123 24.3 243 125 5 50 126 3.4 34 127 1.4 14 128 5.6 56 129 4 40 130 2.6 26 131 15 150 132 6.3 63 133 31.6 316 134 16.6 166 135 25.5 255 136 7.9 79 137 8.3 83 138 4.4 44 124 3.6 36 139 3.7 37 140 3 30 141 4.9 49 143 1.7 17 144 2.9 29 145 22.7 227 146 8.6 86 147 54.9 549 148 18.3 183 149 19.4 194 150 3.7 37 151 5.7 57 152 2.3 23 153 4.5 45 154 1.3 13 155 1.3 13 156 1 10 157 1.1 11 158 1.5 15 159 13.3 133 160 11.2 112 161 53.5 535 162 29.2 292 163 12.3 123 164 3 30 165 2.8 28 166 3 30 167 3.6 36 171 1.9 19 172 5 50 173 12.5 125 174 6.8 68 175 15.4 154 176 40.1 401 177 15.2 152 178 2.4 24 179 0.28 3 181 2.1 21 185 3.7 37 186 3.6 36 187 0.89 9 188 8.2 82 189 9.2 92 190 6.5 65 192 0.18 2 193 2.1 21 194 4.2 42 197 1.3 13 198 0.41 4 199 3.1 31 201 25 250 202 12.3 123 203 4.86 49 204 7.6 76 205 1 10 206 1.4 14 207 0.15 2 214 1.6 16 215 92.7 927 216 54.6 546 217 2.5 25 218 4 40 219 2.6 26 220 2.4 24 221 0.23 2 222 2.4 24 225 1.5 15 226 2.3 23 227 0.28 3 229 5.4 54 230 19 190 231 8 80 232 0.33 3 233 1 10 241 2.2 22 242 2.1 21 243 0.32 3 244 2.2 22 245 1.1 11 246 1.5 15 247 0.27 3 249 2.6 26 251 3 30 252 1.2 12 253 0.14 1 255 3.1 31 256 4.5 45 257 31.1 311 258 0.81 8 259 1.1 11 260 2.9 29 261 3 30 262 0.64 6 263 2 20 267 2.9 29 268 2.6 26 271 0.29 3 272 1.3 13 273 1 10 275 6.1 61 276 0.23 2 279 1.6 16 280 2 20 281 2.2 22 285 0.32 3 287 4.8 48 300 2.7 27 301 10.2 102 302 0.42 4 306 2.7 27 313 2.2 22 314 2.7 27 315 0.58 6 316 83.5 835 317 22.3 223 318 2.7 27 325 0.18 2 328 2.5 25 333 1.4 14 334 1.6 16 339 0.27 3 341 3.3 33 355 37.9 379 356 11.8 118 357 0.22 2 366 2.5 25 368 1.2 12 370 91.4 914 371 2.95 30 372 5 50 399 1.1 11 //