MassBank Record: JP001884



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

ACCESSION: JP001884
RECORD_TITLE: 5ALPHA-CHOLESTAN-3ALPHA-OL; 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$NAME: 5ALPHA-CHOLESTAN-3ALPHA-OL CH$NAME: EPICHOLESTANOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H48O CH$EXACT_MASS: 388.37052 CH$SMILES: C(C([H])41)([H])(C(C)(C([H])3CC4)CCC(C3)([H])O)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2 CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23?,24+,25+,26+,27-/m1/s1
AC$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: splash10-00lr-8963000000-884dec03aaa000f672bc PK$NUM_PEAK: 183 PK$PEAK: m/z int. rel.int. 39 4.1 41 40 4.5 45 41 33.9 339 42 5.5 55 43 59.6 596 44 4.5 45 45 1.1 11 53 5.7 57 54 2.5 25 55 56.8 568 56 9.2 92 57 43.5 435 58 2.5 25 59 1 10 65 2.8 28 66 1.9 19 67 36.6 366 68 13.8 138 69 37.4 374 70 6.5 65 71 18.8 188 72 1.1 11 74 1.9 19 77 7.9 79 78 2.2 22 79 31.7 317 80 8.2 82 81 57.3 573 82 13.8 138 83 23.4 234 84 3.8 38 85 5.9 59 87 1.4 14 91 22.2 222 92 6 60 93 40.8 408 94 18.1 181 95 54.3 543 96 8.3 83 97 16 160 98 2.1 21 99 2.5 25 101 1.2 12 104 2.1 21 105 24.7 247 106 14.7 147 107 54 540 108 41.8 418 109 36.9 369 110 7.3 73 111 11.5 115 112 1.7 17 113 2.8 28 115 3 30 117 3.9 39 118 2.6 26 119 18.4 184 120 13.8 138 121 32 320 122 22.4 224 123 22.6 226 124 17.7 177 125 5.8 58 126 1.1 11 127 1 10 128 3 30 129 1.7 17 131 6.8 68 132 2.6 26 133 18.3 183 134 11.4 114 135 24.7 247 136 11.2 112 137 9.5 95 138 4.8 48 139 1.4 14 143 1.5 15 144 1 10 145 11.2 112 146 4.3 43 147 28.7 287 148 20.2 202 149 32.5 325 150 5.1 51 151 4.8 48 152 2.8 28 153 1 10 157 1.1 11 159 8.3 83 160 6.4 64 161 16.7 167 162 8.6 86 163 8.9 89 164 4.2 42 165 53.7 537 166 17.9 179 167 3.5 35 171 1 10 173 7.4 74 174 3.7 37 175 8.1 81 176 4.1 41 177 4 40 178 3.4 34 179 2.4 24 180 1 10 185 1 10 187 5.3 53 188 3.2 32 189 4.6 46 190 7.5 75 191 5.2 52 192 2.7 27 193 1.8 18 198 3.1 31 199 3 30 200 1.3 13 201 11.9 119 202 3.3 33 203 5.2 52 204 2.8 28 205 3.9 39 206 4.1 41 207 1.4 14 208 2.3 23 213 1.7 17 214 1.2 12 215 83.7 837 216 32.8 328 217 44.7 447 218 8.4 84 219 14.9 149 220 4.1 41 229 3.3 33 230 9.6 96 231 17.3 173 232 10.7 107 233 99.99 999 234 64.7 647 235 10.6 106 236 1 10 243 1.2 12 246 1.9 19 247 2.8 28 248 17.8 178 249 3.5 35 255 1.4 14 257 7.4 74 258 1.7 17 259 1 10 260 1 10 261 1.2 12 262 18.5 185 263 5.2 52 264 1 10 273 2.2 22 274 1.3 13 275 1.6 16 285 2.3 23 288 1.7 17 289 1.5 15 301 1.1 11 315 1.2 12 316 3.6 36 331 3.7 37 332 1 10 338 1.4 14 355 26.7 267 356 7.6 76 357 1.4 14 359 3 30 369 1.8 18 370 10.1 101 371 5.2 52 372 1.6 16 373 39.7 397 374 11.6 116 375 1.6 16 386 6.6 66 387 2.4 24 388 92.4 924 389 27.5 275 390 4.1 41 //