MassBank Record: JP002750



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

ACCESSION: JP002750
RECORD_TITLE: TRIMETHYLSILYL CHOLESTEROL; 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$NAME: TRIMETHYLSILYL CHOLESTEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H54OSi CH$EXACT_MASS: 458.39439 CH$SMILES: C(C(C4)C(C3)(C)C(C4)([H])C(C2([H])C3)(CC=C(C12C)CC(CC1)O[Si](C)(C)C)[H])(CCCC(C)C)C CH$IUPAC: InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/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$SPLASH: splash10-004i-1934000000-d0bdba04e45008899726 PK$NUM_PEAK: 202 PK$PEAK: m/z int. rel.int. 55 2.2 22 57 2.9 29 67 2.6 26 69 0.46 5 71 3.8 38 73 10.5 105 74 1.2 12 75 1.51 15 76 1.1 11 77 2 20 79 4.5 45 81 1.04 10 82 1.3 13 83 5.3 53 85 1.4 14 91 0.82 8 92 2 20 93 10.1 101 94 2.7 27 95 1.86 19 96 1.9 19 97 5.5 55 101 1.6 16 103 0.16 2 104 1.4 14 105 14.4 144 106 5 50 107 1.97 20 108 4.2 42 109 13.7 137 110 2 20 111 0.48 5 113 1.3 13 115 3 30 116 2.3 23 117 0.62 6 118 3.6 36 119 17.2 172 120 11.7 117 121 2.16 22 122 3.9 39 123 8.4 84 124 1 10 125 0.27 3 127 1.9 19 128 2.1 21 129 73.2 732 130 1.26 13 131 14.4 144 132 4.5 45 133 15 150 134 0.47 5 135 14.1 141 136 2.7 27 137 4.9 49 139 0.14 1 141 2.7 27 142 2.8 28 143 13.3 133 144 0.53 5 145 25.7 257 146 8.3 83 147 18.6 186 148 0.61 6 149 9.4 94 150 1.6 16 151 4.1 41 153 0.13 1 155 6.1 61 156 2.5 25 157 7.5 75 158 0.56 6 159 20.4 204 160 13.5 135 161 17.6 176 162 0.4 4 163 10.9 109 164 1.7 17 165 3.9 39 167 0.13 1 168 1.2 12 169 3.4 34 170 1.6 16 171 0.54 5 172 2.7 27 173 10 100 174 3.8 38 175 0.73 7 176 1.5 15 177 5.7 57 178 1 10 179 0.28 3 180 1.1 11 182 1.6 16 183 1.9 19 184 0.1 1 185 5 50 186 2 20 187 4.6 46 188 0.16 2 189 5.9 59 190 1.1 11 191 3.7 37 192 0.12 1 193 4.8 48 194 1.3 13 195 2.4 24 196 0.25 3 197 3.3 33 198 1.5 15 199 6.4 64 200 0.29 3 201 5.6 56 202 1.5 15 203 7.5 75 204 0.14 1 205 4 40 206 3 30 207 4.3 43 208 0.14 1 209 1.6 16 211 2 20 212 1.2 12 213 1.59 16 214 5.1 51 215 6.9 69 216 2.1 21 217 0.73 7 218 1.8 18 219 5.7 57 220 1.8 18 221 0.16 2 227 3.2 32 228 4.3 43 229 4.1 41 230 0.11 1 231 1.7 17 233 5.5 55 234 1.3 13 235 0.17 2 239 1.1 11 241 2.5 25 242 1 10 243 0.1 1 245 3.8 38 246 3.5 35 247 25.7 257 248 0.6 6 249 1.4 14 251 1.2 12 253 2.4 24 254 0.1 1 255 21.4 214 256 4.9 49 257 1.4 14 259 0.42 4 260 3.9 39 261 2.4 24 273 2.5 25 274 0.31 3 275 10.3 103 276 2.4 24 283 2.2 22 287 0.1 1 299 1.3 13 300 1 10 301 4 40 302 0.12 1 303 1 10 311 1.5 15 313 1.7 17 314 0.23 2 325 1.2 12 326 3.6 36 327 5.3 53 328 1.43 14 329 99.99 999 330 26.3 263 331 3.5 35 339 0.2 2 340 3 30 351 1.3 13 352 1.2 12 353 4.08 41 354 12.5 125 355 2.6 26 364 1.1 11 366 0.3 3 367 3.9 39 368 63.9 639 369 19.9 199 370 0.34 3 443 11.4 114 444 4.4 44 445 1.5 15 456 0.12 1 457 1.2 12 181 2.7 27 458 16.3 163 459 0.61 6 460 2 20 461 0.5 5 //