ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY WJUROLKZHWTVGC-SJSRKZJXSA-N
AC$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: splash10-01dr-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
//
