MassBank Record: JP002712



 3-O-TRIMETHYLSILYLESTRONE 17-(O-METHYL)OXIME; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002712
RECORD_TITLE: 3-O-TRIMETHYLSILYLESTRONE 17-(O-METHYL)OXIME; 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$NAME: 3-O-TRIMETHYLSILYLESTRONE 17-(O-METHYL)OXIME CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H33NO2Si CH$EXACT_MASS: 371.22806 CH$SMILES: CON=C(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)c(c2)c(cc(O[Si](C)(C)C)c2)C1 CH$IUPAC: InChI=1S/C22H33NO2Si/c1-22-13-12-18-17-9-7-16(25-26(3,4)5)14-15(17)6-8-19(18)20(22)10-11-21(22)23-24-2/h7,9,14,18-20H,6,8,10-13H2,1-5H3/b23-21-/t18-,19-,20+,22+/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$SPLASH: splash10-00di-4579000000-0e96df11205ca148758c PK$NUM_PEAK: 278 PK$PEAK: m/z int. rel.int. 51 1.9 19 53 3.7 37 54 3.2 32 55 4.8 48 56 3.5 35 57 3.8 38 58 2.6 26 59 0.71 7 60 1.2 12 61 1.7 17 63 1.4 14 65 0.3 3 66 1.7 17 67 4.2 42 68 2.2 22 70 0.23 2 71 1.3 13 72 1.6 16 73 91.8 918 74 0.8 8 75 26.5 265 76 2.2 22 77 8 80 78 0.31 3 79 5.7 57 80 2.4 24 81 4.5 45 82 0.41 4 83 1.1 11 84 7 70 85 2.1 21 86 0.11 1 87 2 20 89 3.6 36 90 1.1 11 91 0.73 7 92 2 20 93 4.3 43 94 3 30 95 0.44 4 96 18.4 184 97 2 20 98 2.2 22 99 0.07 1 100 2.9 29 101 3.7 37 102 1.5 15 103 0.38 4 104 1.7 17 105 7.9 79 106 2.2 22 107 0.76 8 108 7.1 71 109 4.6 46 110 3.4 34 111 0.08 1 112 1.9 19 113 2.2 22 114 2.5 25 115 1.06 11 116 3.5 35 117 4.3 43 118 1.9 19 119 0.35 4 120 4 40 121 3.3 33 122 5 50 123 0.17 2 124 2.2 22 125 1.4 14 126 4.3 43 127 0.69 7 128 9.8 98 129 6.8 68 130 2.3 23 131 0.29 3 132 2.8 28 133 3.4 34 134 4.5 45 135 0.35 4 136 1.9 19 137 0.8 8 138 4 40 139 0.21 2 140 3 30 141 8 80 142 3.4 34 143 0.31 3 144 2.4 24 145 4.1 41 146 3 30 147 0.34 3 148 1.2 12 149 2.6 26 150 1.7 17 151 0.25 3 152 3.3 33 153 3.4 34 154 2.5 25 155 0.48 5 156 1.5 15 157 3.6 36 158 2.1 21 159 0.33 3 160 3.1 31 161 5.4 54 162 2 20 163 1.1 11 164 2.9 29 165 5.5 55 166 2.5 25 167 0.35 4 168 1.5 15 169 1.8 18 170 2 20 171 0.23 2 172 1.5 15 173 2.3 23 174 1.3 13 175 0.32 3 176 2.2 22 177 9.2 92 178 4.7 47 179 10.6 106 180 6 60 181 3 30 182 1.4 14 183 0.23 2 184 1.2 12 185 4.5 45 186 1.6 16 187 0.37 4 188 2.3 23 189 8.2 82 190 2.7 27 191 0.3 3 192 2.6 26 193 3.8 38 194 2.5 25 195 0.39 4 196 1.4 14 197 1.8 18 198 1.1 11 199 0.3 3 200 2 20 201 9 90 202 3.2 32 203 1.45 15 204 3.8 38 205 18.4 184 206 5.4 54 209 0.15 2 210 2 20 211 2 20 213 2.4 24 214 0.2 2 215 7.4 74 216 5.1 51 217 21.9 219 218 8.97 90 219 21.3 213 220 6.3 63 221 2.1 21 222 0.17 2 223 2 20 224 1 10 225 1.7 17 226 0.12 1 227 2.1 21 228 1.5 15 229 16 160 230 1.2 12 231 30.4 304 232 25.1 251 233 7.2 72 234 0.32 3 235 2.4 24 236 1.3 13 237 1.6 16 238 0.11 1 239 1.7 17 240 1.4 14 241 2.3 23 242 0.27 3 243 4.7 47 244 11.4 114 245 1.5 15 246 0.23 2 247 1.4 14 248 1.8 18 249 1.7 17 250 0.28 3 251 1.4 14 252 1.3 13 253 2.5 25 254 0.17 2 255 3.2 32 256 3.1 31 257 7.4 74 258 0.31 3 259 2.9 29 260 1.3 13 261 1.1 11 265 0.11 1 266 1.9 19 267 3.2 32 268 3.8 38 269 0.5 5 270 4.8 48 271 13.1 131 272 4.6 46 273 0.2 2 279 1.4 14 280 2.1 21 281 2.6 26 282 0.51 5 283 15.9 159 284 15.7 157 285 26.9 269 286 0.88 9 287 2.8 28 292 1 10 293 1.6 16 294 0.17 2 295 2.5 25 296 4 40 297 6.4 64 298 0.53 5 299 6.8 68 300 2.1 21 301 1 10 305 0.2 2 306 4.5 45 307 3.4 34 308 2.2 22 309 0.33 3 310 10.5 105 311 7.7 77 312 12.9 129 313 0.57 6 314 2.4 24 315 1.3 13 318 1 10 319 1.3 13 320 1.2 12 321 1.9 19 322 3.4 34 323 0.9 9 324 15.2 152 325 5.2 52 326 8.3 83 327 0.19 2 328 1.5 15 335 1.9 19 336 1.5 15 337 0.38 4 338 7.5 75 339 53.2 532 340 84.3 843 341 4.92 49 342 14.4 144 343 4.4 44 344 1.5 15 353 0.08 1 354 6.7 67 355 2 20 356 11.5 115 357 0.44 4 358 1.4 14 369 2.6 26 370 6.6 66 371 99.99 999 372 32.6 326 373 8 80 374 0.13 1 385 6.3 63 386 2.2 22 399 1.6 16 //