MassBank Record: JP001885



 5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001885
RECORD_TITLE: 5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7); 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$NAME: 5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7) CH$NAME: CHOLESTANOL (25,26,26,26,27,27,27-D7) CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H48O CH$EXACT_MASS: 388.37052 CH$SMILES: C(C(C([2H])([2H])[2H])([2H])CCCC(C)C(C1)C(C)(C4)C(C(C([H])2C4)([H])CCC([H])(C3)C2(C)CCC3([H])O)([H])C1)([2H])([2H])[2H] CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23?,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
AC$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: splash10-00ls-8963000000-5a98800e67e851e83be5 PK$NUM_PEAK: 203 PK$PEAK: m/z int. rel.int. 39 3.2 32 40 6.4 64 41 26.9 269 42 4.6 46 43 21.6 216 44 7.3 73 45 6.2 62 46 9.6 96 47 5.7 57 48 3.8 38 49 6.6 66 50 19.7 197 53 5.8 58 54 2.5 25 55 50 500 56 9.3 93 57 19.8 198 58 5.6 56 59 4.3 43 60 8.2 82 61 6.2 62 62 2.8 28 63 7 70 64 5.7 57 65 2.5 25 66 1.7 17 67 37 370 68 14.6 146 69 27.4 274 70 7.7 77 71 6.8 68 72 3.2 32 73 3 30 74 4.2 42 75 7.7 77 76 3.1 31 77 8.9 89 78 3.5 35 79 32.1 321 80 8.7 87 81 56.3 563 82 13.1 131 83 16.4 164 84 4.8 48 85 3.8 38 86 2.3 23 87 3.1 31 88 2 20 89 2.5 25 90 1.3 13 91 22.8 228 92 6.2 62 93 41.2 412 94 18.2 182 95 53.1 531 96 9.6 96 97 11.7 117 98 3.6 36 99 3.1 31 100 1.3 13 101 2.6 26 103 1.3 13 104 2.4 24 105 24.6 246 106 14.5 145 107 52.4 524 108 44.6 446 109 35.4 354 110 8.7 87 111 9 90 112 2.5 25 113 1.7 17 115 3.8 38 117 4 40 118 2.7 27 119 18.5 185 120 14.1 141 121 31.3 313 122 21.2 212 123 22.7 227 124 17.9 179 125 5.2 52 126 1.2 12 128 3.3 33 129 2.2 22 130 1 10 131 6.8 68 132 2.8 28 133 17.7 177 134 11.5 115 135 24.5 245 136 11.1 111 137 9.2 92 138 4.9 49 139 1.2 12 143 1.8 18 144 1.3 13 145 11.1 111 146 4.4 44 147 28.3 283 148 20.5 205 149 33.5 335 150 5.4 54 151 4.4 44 152 1.2 12 157 1.3 13 158 1 10 159 8.9 89 160 6.8 68 161 16.5 165 162 8.8 88 163 8.5 85 164 4.4 44 165 53.1 531 166 18.2 182 167 4 40 171 1.1 11 173 7.5 75 174 3.8 38 175 8.2 82 176 4.2 42 177 3.9 39 178 3.5 35 179 2 20 185 1.1 11 187 5.3 53 188 3.4 34 189 4.6 46 190 7.6 76 191 5 50 192 2.6 26 198 3.1 31 199 3 30 200 1.9 19 201 11.8 118 202 3.6 36 203 5.1 51 204 2.6 26 205 3.6 36 206 3.8 38 213 1.8 18 214 1.6 16 215 83.7 837 216 33 330 217 45.7 457 218 8.8 88 219 14.7 147 220 4.6 46 229 3.4 34 230 9.9 99 231 15.5 155 232 10.1 101 233 99.99 999 234 67.5 675 235 11.3 113 236 1.1 11 243 1.1 11 246 1.5 15 247 1.3 13 248 17.8 178 249 3.5 35 254 1.4 14 255 1.8 18 257 7.3 73 258 1.7 17 268 1.2 12 269 16 160 270 4.8 48 271 1.4 14 273 2.2 22 274 1.2 12 282 1 10 283 1.1 11 285 4.6 46 286 1 10 295 1.6 16 296 1.3 13 322 1.2 12 323 3.4 34 331 1.3 13 338 3.4 34 345 1.4 14 346 3.8 38 347 1.3 13 359 1.3 13 360 1 10 361 1.1 11 362 23.7 237 363 6.4 64 364 1.2 12 366 3 30 376 1.7 17 377 10.1 101 378 4.7 47 379 2.6 26 380 38.3 383 381 11.6 116 382 1.9 19 393 5.4 54 394 4.8 48 395 95.2 952 396 28.8 288 397 4.3 43 //