MassBank Record: JP002714



 3,17BETA-DI-O-TRIMETHYLSILYLESTRADIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002714
RECORD_TITLE: 3,17BETA-DI-O-TRIMETHYLSILYLESTRADIOL; 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$NAME: 3,17BETA-DI-O-TRIMETHYLSILYLESTRADIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H40O2Si2 CH$EXACT_MASS: 416.25668 CH$SMILES: C(C1(C)4)([H])(O[Si](C)(C)C)CCC1(C(C([H])(CC4)2)([H])CCc(c3)c2ccc(O[Si](C)(C)C)3)[H] CH$IUPAC: InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23+,24+/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$SPLASH: splash10-01dr-8591400000-19337bf70bccf7500010 PK$NUM_PEAK: 185 PK$PEAK: m/z int. rel.int. 51 0.4 4 53 3.7 37 54 2 20 55 0.95 10 56 2.8 28 57 9.9 99 58 2.8 28 59 1.07 11 60 1.5 15 61 1.8 18 65 2.5 25 67 0.42 4 68 3.3 33 70 2.5 25 71 2.4 24 72 0.33 3 73 87.8 878 74 8.8 88 75 71.5 715 76 0.83 8 77 12.2 122 78 3 30 79 3.9 39 81 0.72 7 82 1.1 11 83 3.9 39 85 3.3 33 91 0.7 7 93 3.2 32 94 2.8 28 95 5.6 56 97 0.3 3 98 2.2 22 99 3.5 35 101 4 40 103 0.04 0 104 0.6 6 105 5.8 58 106 1.9 19 107 0.56 6 109 3.8 38 110 1.6 16 111 1.5 15 112 0.25 3 113 1.9 19 115 9 90 116 3.7 37 117 0.64 6 118 1.6 16 119 2.1 21 120 2.4 24 121 0.2 2 122 2.2 22 123 0.6 6 126 1.7 17 127 0.22 2 128 2.7 27 129 36.7 367 130 8.2 82 131 0.29 3 132 2.2 22 134 1.3 13 135 1.2 12 141 0.49 5 142 1.5 15 143 0.7 7 144 1.7 17 145 0.2 2 146 1.5 15 147 0.1 1 148 1.5 15 149 0.55 6 151 3.6 36 152 3 30 153 2.4 24 155 0.28 3 157 1.5 15 159 2.5 25 160 2.6 26 161 0.14 1 162 1.7 17 163 0.5 5 164 1.5 15 165 0.26 3 167 2.6 26 169 3 30 170 2 20 173 0.17 2 175 1.7 17 176 0.1 1 177 3.4 34 178 0.2 2 179 5.6 56 180 3.1 31 181 2.3 23 182 0.17 2 183 2 20 185 2.3 23 186 1.5 15 187 0.27 3 189 3.8 38 190 3 30 192 0.8 8 195 0.26 3 196 1.5 15 199 1.4 14 201 3.9 39 202 0.22 2 203 5.2 52 204 2.7 27 205 9.8 98 206 0.15 2 211 2.1 21 213 1.8 18 215 4.7 47 216 0.35 4 217 6.3 63 218 21.1 211 219 5.8 58 220 0.22 2 221 1.2 12 222 1.1 11 223 0.9 9 227 0.22 2 229 9.2 92 230 3.9 39 231 19.1 191 232 2.17 22 233 5 50 234 2.7 27 235 2 20 242 0.19 2 243 4 40 244 14.3 143 245 6.3 63 246 0.2 2 247 1.4 14 250 1.1 11 251 1 10 252 0.19 2 253 2 20 254 1.8 18 255 2.4 24 256 0.19 2 257 4.6 46 258 3.3 33 259 1.6 16 269 0.29 3 270 2.9 29 271 2.8 28 272 3.9 39 283 0.02 0 284 10.7 107 285 63.5 635 286 17.7 177 287 1.21 12 288 1.9 19 295 2.8 28 296 2.1 21 297 0.48 5 298 8.8 88 299 3.8 38 300 4 40 307 0.15 2 309 4.9 49 310 2.1 21 311 4.4 44 323 0.15 2 324 6.2 62 325 6.3 63 326 15.5 155 327 0.1 1 328 0.5 5 335 3 30 339 2.7 27 340 0.23 2 400 0.5 5 401 5.6 56 402 2 20 414 0.12 1 415 7.3 73 416 99.99 999 417 33.7 337 418 0.76 8 419 2.3 23 //