ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY GIUGKXYPAYLRPS-AFLCNQENSA-N
AC$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
//
