MassBank Record: JP002713



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

ACCESSION: JP002713
RECORD_TITLE: 3,17ALPHA-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$NAME: 3,17ALPHA-DI-O-TRIMETHYLSILYLESTRADIOL CH$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$SPLASH: splash10-01dr-5491400000-d7ce9ddc975539d8727e PK$NUM_PEAK: 162 PK$PEAK: m/z int. rel.int. 53 0.8 8 55 4.7 47 56 0.3 3 57 0.13 1 58 1.7 17 59 7.4 74 60 1.2 12 61 0.17 2 65 1.3 13 67 3.5 35 68 1.3 13 72 0.16 2 73 86.8 868 74 7.3 73 75 26.4 264 76 0.21 2 77 3.5 35 78 1.7 17 79 4.1 41 81 0.46 5 82 0.9 9 85 1.3 13 87 1.1 11 89 0.12 1 91 4 40 93 5.2 52 94 0.8 8 95 0.24 2 98 1.2 12 99 0.5 5 100 1.1 11 101 0.34 3 103 2.6 26 105 2.2 22 107 2.4 24 108 0.1 1 109 0.8 8 113 1.1 11 115 8.2 82 116 0.3 3 117 2.3 23 119 0.7 7 121 0.8 8 125 0.01 0 127 1.8 18 128 3.4 34 129 35 350 130 0.62 6 131 1.9 19 133 0.9 9 134 1.4 14 135 0.07 1 141 3.3 33 143 1.8 18 145 1.1 11 147 0.21 2 149 0.5 5 151 0.5 5 152 1.1 11 153 0.13 1 155 1.9 19 157 1.2 12 159 4.4 44 161 0.26 3 163 4.5 45 164 1.4 14 165 1.5 15 167 0.21 2 169 1.5 15 175 2.2 22 177 6 60 178 0.25 3 179 5.8 58 180 3.1 31 181 1.4 14 182 0.12 1 185 2.1 21 187 1.7 17 189 4.4 44 190 0.14 1 191 0.6 6 192 1.5 15 193 2.6 26 194 0.15 2 195 1.2 12 199 1.4 14 200 1.5 15 201 0.37 4 202 1.4 14 203 5.5 55 204 2.6 26 205 1.22 12 206 3.4 34 213 1.2 12 214 1.1 11 215 0.38 4 216 2.4 24 217 6.5 65 218 15.7 157 219 0.41 4 220 1.7 17 223 1.1 11 227 1.4 14 229 0.76 8 230 7.9 79 231 17.1 171 232 18.9 189 233 0.54 5 234 1.4 14 235 11.3 113 237 1.2 12 242 0.17 2 243 3.7 37 244 11.6 116 245 2 20 246 0.19 2 247 1.2 12 250 2 20 253 1.8 18 254 0.15 2 255 2.1 21 256 2.1 21 257 4.1 41 258 0.37 4 259 1.4 14 268 1.3 13 269 5.3 53 270 0.3 3 271 4.9 49 272 3.7 37 273 1.3 13 283 0.55 6 284 10.3 103 285 59.6 596 286 16.8 168 287 1.09 11 288 2.5 25 297 4.8 48 298 7.5 75 299 0.3 3 300 4.4 44 301 1 10 309 2.3 23 310 0.1 1 311 3.5 35 312 1.3 13 324 3.2 32 325 1.14 11 326 18.2 182 327 4 40 328 1.6 16 340 0.46 5 344 1.1 11 401 7.9 79 402 3.2 32 403 0.1 1 414 1.4 14 415 4.4 44 416 99.99 999 417 3.56 36 418 13.2 132 419 3 30 //