ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY WJUROLKZHWTVGC-DJCPXJLLSA-N
AC$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-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
//
