MassBank Record: JP002709



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

ACCESSION: JP002709
RECORD_TITLE: DIHYDROCHOLESTEROL ACETATE; 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$NAME: DIHYDROCHOLESTEROL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C29H50O2 CH$EXACT_MASS: 430.38108 CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C(C)32)(C([H])(CCC2CC(OC(C)=O)(CC3)[H])1)[H] CH$IUPAC: InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3/t20-,22?,23+,24+,25-,26+,27+,28+,29-/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$SPLASH: splash10-014i-3982000000-c902c00ef807c3a99307 PK$NUM_PEAK: 173 PK$PEAK: m/z int. rel.int. 44 1.4 14 55 4.1 41 56 1.3 13 58 4.5 45 66 1.2 12 67 9.8 98 68 2.3 23 69 0.48 5 70 1.4 14 71 4.3 43 77 4.1 41 79 1.33 13 80 3.3 33 81 18.3 183 82 3.4 34 83 0.48 5 91 12.8 128 92 5.1 51 93 20.1 201 94 0.72 7 95 20.1 201 96 3.2 32 97 5.3 53 103 0.22 2 104 3.9 39 105 15.4 154 106 12.8 128 107 2.83 28 108 16.8 168 109 16.5 165 110 2.7 27 111 0.74 7 115 2.6 26 117 4.4 44 118 3.1 31 119 1.47 15 120 9.1 91 121 18.4 184 122 7.4 74 123 1.44 14 124 3 30 125 1.8 18 127 2.4 24 128 0.27 3 129 1.8 18 130 1.5 15 131 6.9 69 132 0.32 3 133 14.8 148 134 9.1 91 135 15.9 159 136 0.56 6 137 3.7 37 138 1.3 13 139 1.8 18 141 0.22 2 142 1.6 16 143 2.7 27 144 1.4 14 145 1.3 13 146 6.1 61 147 35.3 353 148 11.3 113 149 1.2 12 150 1.7 17 151 3.1 31 152 1.5 15 153 0.19 2 155 1.4 14 157 1.2 12 158 1.5 15 159 0.95 10 160 8.7 87 161 19.5 195 162 11.6 116 163 0.66 7 164 1.5 15 165 1.5 15 167 1.8 18 169 0.17 2 171 1.8 18 173 8.9 89 174 4.9 49 175 0.93 9 176 10.9 109 177 4.5 45 178 1.9 19 179 0.11 1 181 1.3 13 183 1.3 13 185 1.4 14 187 0.61 6 188 6.6 66 189 5.1 51 190 2.1 21 191 0.17 2 194 1.5 15 195 3 30 197 3.7 37 199 0.15 2 201 23.1 231 202 7.8 78 203 12.5 125 204 0.28 3 205 2.7 27 206 2.2 22 212 1.6 16 213 0.24 2 214 1.6 16 215 99.99 999 216 46.7 467 217 2.42 24 218 3 30 219 1.4 14 220 1.8 18 221 0.19 2 229 5.1 51 230 24.2 242 231 9.3 93 232 0.23 2 234 1.5 15 241 2.9 29 243 2.1 21 244 1.9 19 245 2.8 28 246 1.3 13 247 4.5 45 248 0.28 3 249 1.4 14 255 2.6 26 256 3 30 257 1.75 18 258 4.2 42 260 2.7 27 261 5.3 53 262 0.9 9 263 3.5 35 274 3.2 32 275 22.5 225 276 1.84 18 277 3.6 36 283 1.6 16 285 2.8 28 287 0.24 2 288 2 20 290 3 30 291 1.2 12 299 0.15 2 315 4.3 43 316 8.6 86 317 2 20 328 0.2 2 330 1.3 13 342 1.2 12 343 1.8 18 353 0.15 2 355 32.9 329 356 10.6 106 357 1.9 19 368 0.25 3 369 1.8 18 370 30.7 307 371 10.4 104 373 0.13 1 394 1.4 14 396 1.5 15 401 1.5 15 415 0.39 4 416 1.3 13 430 9.9 99 431 2 20 432 0.38 4 301 4.4 44 //