MassBank Record: JP002704



 DIHYDROCHOLESTEROL METHYL ETHER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002704
RECORD_TITLE: DIHYDROCHOLESTEROL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROCHOLESTEROL METHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C28H50O CH$EXACT_MASS: 402.38617 CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C3(C)2)(C([H])(CCC2CC(CC3)([H])OC)1)[H] CH$IUPAC: InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27+,28-/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$SPLASH: splash10-014j-2981000000-25903405d185ae526e63 PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 55 4.6 46 57 3.8 38 67 7 70 68 2.4 24 69 7.5 75 71 9.3 93 72 1 10 73 0.22 2 77 2.8 28 79 9.9 99 80 2.4 24 81 1.78 18 82 3.7 37 83 3.4 34 84 3.2 32 91 1.02 10 92 3 30 93 17.4 174 94 7 70 95 2.27 23 96 2.9 29 97 8.2 82 98 1.2 12 101 0.14 1 104 1.3 13 105 11.8 118 106 9.3 93 107 3.12 31 108 21.5 215 109 18 180 110 3 30 111 0.56 6 115 1.5 15 117 2.8 28 118 2.1 21 119 1.09 11 120 10.1 101 121 21.7 217 122 12.4 124 123 1.42 14 124 3.4 34 125 4 40 129 1.7 17 131 0.54 5 132 2.2 22 133 12.7 127 134 7.8 78 135 1.63 16 136 10.7 107 137 6.2 62 138 11.2 112 139 0.42 4 143 1.6 16 145 10.1 101 146 3.9 39 147 2.51 25 148 11.9 119 149 17.7 177 150 2.7 27 151 0.53 5 152 4.7 47 153 1.2 12 159 8.1 81 160 0.77 8 161 16.8 168 162 9 90 163 6.4 64 164 0.13 1 165 2.1 21 167 1.1 11 171 1 10 173 0.89 9 174 4.2 42 175 8.2 82 176 4.4 44 177 0.43 4 178 1.8 18 179 35.9 359 180 12.5 125 181 0.36 4 187 5.7 57 188 4.4 44 189 6.3 63 190 1.34 13 191 5.2 52 192 3.1 31 193 2.1 21 199 0.14 1 201 14.3 143 202 4.8 48 203 5.2 52 204 0.36 4 205 4.8 48 206 2.5 25 208 1.4 14 213 0.11 1 214 1 10 215 99.99 999 216 41.5 415 217 3.66 37 218 6.1 61 219 2.3 23 220 2.8 28 229 0.38 4 230 16.5 165 231 6.2 62 232 1.4 14 233 0.51 5 234 2.3 23 243 1.7 17 245 1.1 11 246 0.18 2 247 45.4 454 248 38.2 382 249 8.1 81 250 0.12 1 255 1 10 257 7.3 73 258 2.1 21 260 0.12 1 261 1.7 17 262 23.1 231 263 6.5 65 264 1.8 18 273 1.2 12 275 2 20 276 2.1 21 285 0.2 2 287 2.1 21 288 1.9 19 289 1.9 19 301 0.14 1 314 1.2 12 316 1.7 17 328 1.2 12 344 0.25 3 345 19.1 191 346 5.5 55 347 1.1 11 355 2.67 27 356 7.7 77 357 1.4 14 369 1.3 13 370 0.85 9 371 3.4 34 372 1.4 14 373 1 10 374 0.1 1 387 20.8 208 388 6.3 63 389 1.1 11 401 0.1 1 402 28.3 283 403 9.5 95 404 1.6 16 405 0.5 5 //