MassBank Record: JP002753



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

ACCESSION: JP002753
RECORD_TITLE: TRIMETHYLSILYL STIGMASTEROL; 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$NAME: TRIMETHYLSILYL STIGMASTEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C32H56OSi CH$EXACT_MASS: 484.41004 CH$SMILES: C(C32[H])(C(C4)([H])C(C([H])(C4)C([H])(C)C=CC(CC)([H])C(C)C)(C)CC3)(CC=C(C21C)CC(CC1)(O[Si](C)(C)C)[H])[H] CH$IUPAC: InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23-,24-,26+,27+,28-,29+,30+,31+,32-/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$SPLASH: splash10-057j-2932000000-4508e0e52a7847dc3ee2 PK$NUM_PEAK: 228 PK$PEAK: m/z int. rel.int. 55 8.1 81 57 3 30 67 4.9 49 69 1.75 18 70 1.3 13 71 5 50 73 17.9 179 74 0.18 2 75 17.9 179 76 1.4 14 77 3.2 32 79 0.81 8 80 1.3 13 81 24 240 82 2.9 29 83 7.24 72 84 6 60 85 2.7 27 89 1.1 11 91 1.17 12 92 2.4 24 93 17.1 171 94 3.8 38 95 2.16 22 96 4.3 43 97 22.5 225 98 2.1 21 101 0.13 1 103 2.3 23 104 1.2 12 105 20.4 204 106 0.45 5 107 25.9 259 108 4.5 45 109 18.8 188 110 0.41 4 111 4.3 43 115 3.4 34 116 1.7 17 117 0.8 8 118 2.9 29 119 26.6 266 120 11.8 118 121 2.09 21 122 4.2 42 123 14 140 124 2.5 25 125 0.15 2 127 1 10 128 2.3 23 129 99.99 999 130 1.51 15 131 21.1 211 132 5.7 57 133 41.9 419 134 0.75 8 135 16.2 162 136 2.6 26 137 7.7 77 138 0.21 2 139 40.8 408 140 4.6 46 141 2.9 29 142 0.25 3 143 16.7 167 144 5.6 56 145 38 380 146 0.93 9 147 31.4 314 148 5.6 56 149 9.7 97 150 0.14 1 151 3.3 33 155 7.6 76 156 2.7 27 157 1.4 14 158 9.1 91 159 43.3 433 160 9.8 98 161 2.18 22 162 4 40 163 6.8 68 164 1.7 17 165 0.32 3 166 1.8 18 167 1.2 12 168 1.4 14 169 0.65 7 170 2 20 171 8.8 88 172 3.5 35 173 1.64 16 174 4.2 42 175 7.6 76 176 1.5 15 177 0.31 3 178 1.9 19 179 1.7 17 181 3 30 182 0.21 2 183 3.5 35 184 1.5 15 185 9.2 92 186 0.34 3 187 8.3 83 188 3 30 189 10.4 104 190 0.18 2 191 2.7 27 193 1.2 12 194 1 10 195 0.26 3 196 3.5 35 197 6.2 62 198 2.2 22 199 1.3 13 200 3.9 39 201 7.9 79 202 2.3 23 203 0.37 4 205 2 20 209 1.3 13 211 7.7 77 212 0.37 4 213 26.8 268 214 7.4 74 215 20.1 201 216 0.45 5 217 6.4 64 218 1.3 13 219 1.6 16 221 0.1 1 223 1.3 13 225 3.5 35 226 2.4 24 227 0.84 8 228 10.3 103 229 7.2 72 230 1.6 16 231 0.24 2 233 1.4 14 235 1.1 11 237 1 10 239 0.72 7 240 4.7 47 241 7.8 78 242 2.9 29 243 0.85 9 244 1.9 19 245 1.9 19 247 1.2 12 249 0.1 1 251 1.2 12 253 18.7 187 254 8.8 88 255 9.57 96 256 21 210 257 10.8 108 258 2.1 21 259 0.13 1 267 6.3 63 268 2 20 269 2.4 24 271 1.26 13 272 3.3 33 273 4.1 41 274 1.2 12 281 0.77 8 282 10.5 105 283 10.6 106 284 2.4 24 285 0.18 2 295 4.7 47 296 3.5 35 297 1.3 13 300 0.16 2 301 2.9 29 302 1 10 303 1.5 15 309 0.54 5 310 1.9 19 311 1.2 12 318 2.6 26 319 0.1 1 327 2 20 329 1.9 19 330 2.4 24 331 0.18 2 339 1 10 340 1 10 342 1.8 18 343 0.88 9 344 5.7 57 345 3.7 37 346 1.1 11 351 3.84 38 352 13.6 136 353 6.4 64 354 13.5 135 355 2.77 28 356 7.6 76 357 2.4 24 365 3.2 32 366 0.34 3 367 1 10 371 1.5 15 372 6.9 69 373 0.31 3 374 1.1 11 379 22.5 225 380 7.2 72 381 0.13 1 386 1.7 17 392 1.7 17 393 2.5 25 394 5.56 56 395 17.6 176 396 3 30 441 1.8 18 443 0.12 1 469 9.8 98 470 3.8 38 471 1.1 11 472 0.13 1 483 1.2 12 484 29.7 297 486 11.4 114 487 3.5 35 //