MassBank Record: JP002702



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

ACCESSION: JP002702
RECORD_TITLE: ERGOSTEROL-TRIMETHYLSILYL-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$NAME: ERGOSTEROL-TRIMETHYLSILYL-ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C31H52OSi CH$EXACT_MASS: 468.37874 CH$SMILES: CC(C4)(C=3CC(O[Si](C)(C)C)C4)C(C1=CC3)(CCC(C([H])(C([H])(C)C=CC([H])(C)C(C)C)2)(C1([H])CC2)C)[H] CH$IUPAC: InChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1 CH$LINK: CAS 2625-45-8
AC$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: splash10-03dr-2947000000-1504c76410b50d6eba8d PK$NUM_PEAK: 192 PK$PEAK: m/z int. rel.int. 55 4.2 42 57 2.1 21 67 2.9 29 69 16.6 166 70 1.6 16 71 1.8 18 73 12.9 129 74 0.15 2 76 8.9 89 77 1.6 16 79 3 30 81 1.06 11 82 1.4 14 83 6.2 62 91 5.1 51 93 0.55 6 94 1.1 11 95 6.6 66 97 3 30 103 0.1 1 105 7.4 74 106 1.7 17 107 7.9 79 108 0.11 1 109 9 90 110 1.2 12 111 1.7 17 115 0.31 3 116 1.3 13 117 3.9 39 118 2.4 24 119 2.19 22 120 2.1 21 121 3.7 37 123 3.9 39 124 0.11 1 125 9.5 95 126 1.5 15 128 3.8 38 129 1.36 14 130 4.1 41 131 27 270 132 4.6 46 133 0.77 8 134 1.7 17 135 4.3 43 137 2.8 28 141 0.6 6 142 3.6 36 143 22.8 228 144 19.8 198 145 2.12 21 146 4.1 41 147 5.8 58 149 2.4 24 151 0.13 1 153 1.6 16 154 1 10 155 9.2 92 156 0.39 4 157 22.5 225 158 8.9 89 159 19.7 197 160 0.34 3 161 3.2 32 163 1.5 15 165 1.6 16 167 0.26 3 168 3.2 32 169 12.6 126 170 4.5 45 171 1.14 11 172 3.6 36 173 4.8 48 174 2.2 22 175 0.16 2 178 1 10 179 1.4 14 180 1.4 14 181 0.46 5 182 3.8 38 183 11 110 184 4.1 41 185 1.26 13 186 3.1 31 187 4.1 41 191 1 10 192 0.1 1 193 1.9 19 194 2.4 24 195 6.2 62 196 0.46 5 197 15.7 157 198 5.7 57 199 15.5 155 200 0.36 4 201 3.6 36 205 1.6 16 206 1 10 207 0.13 1 208 1.2 12 209 6.5 65 210 3.5 35 211 2.57 26 212 6 60 213 11 110 214 2.6 26 215 0.13 1 219 1.1 11 221 2.7 27 222 1.2 12 223 0.37 4 224 3.1 31 225 7 70 226 7.5 75 227 0.87 9 228 2.4 24 229 1.8 18 230 1.1 11 232 0.11 1 235 2.3 23 236 1.9 19 237 7.8 78 238 0.45 5 239 7.1 71 240 1.8 18 241 1.8 18 242 0.1 1 247 1.7 17 248 1.2 12 249 2.9 29 250 0.24 2 251 16 160 252 6.2 62 253 39 390 254 0.84 8 255 3.1 31 265 1.9 19 267 1.8 18 268 0.14 1 272 1.1 11 279 2.2 22 280 1.8 18 281 0.18 2 285 1 10 287 1.2 12 289 1.3 13 293 0.23 2 294 1 10 295 1 10 301 1.2 12 307 0.12 1 310 2 20 323 1.8 18 324 1 10 325 0.12 1 326 3.1 31 327 1.2 12 328 2 20 335 0.26 3 336 1.7 17 337 66 660 338 20.3 203 339 0.47 5 340 1.2 12 341 2.6 26 342 1.3 13 343 0.4 4 344 1.7 17 345 1.2 12 348 1 10 349 0.16 2 350 1.9 19 352 1 10 361 3.3 33 362 0.45 5 363 99.99 999 364 29.3 293 365 4 40 374 0.12 1 376 8.2 82 377 7 70 378 23.9 239 379 0.78 8 380 1.3 13 453 2.6 26 454 1 10 455 0.11 1 466 1.7 17 467 1 10 468 21 210 469 1.7 17 //