ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011089
RECORD_TITLE: ISODIOTIGENIN-TRI-TRIMETHYLSILYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISODIOTIGENIN-TRI-TRIMETHYLSILYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₆H₆₈O₅Si₃
CH$EXACT_MASS: 664.43745
CH$SMILES: O(C15[H])C(C6)(OCC(C6)C)C(C(C(C2([H])C5)(C)CCC(C3(C)4)(C(CCC3(C(C(C(O[Si](C)(C)C)C4)O[Si](C)(C)C)O[Si](C)(C)C)[H])2[H])[H])1[H])C
CH$IUPAC: InChI=1S/C36H68O5Si3/c1-23-16-19-36(37-22-23)24(2)31-29(38-36)20-28-25-14-15-27-32(40-43(8,9)10)33(41-44(11,12)13)30(39-42(5,6)7)21-35(27,4)26(25)17-18-34(28,31)3/h23-33H,14-22H2,1-13H3/t23-,24+,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-/m1/s1
CH$LINK: INCHIKEY KHMJYEMFAXORTC-QJGHFXDPSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-05as-4941200000-fb61b1d58bff9ce5dd5b
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
  40 9.48 95
  41 6.91 69
  42 7.32 73
  44 13.79 138
  45 1.9 19
  51 1.93 19
  53 2.08 21
  55 18.31 183
  68 2.8 28
  69 28.29 283
  70 4.93 49
  71 3.47 35
  72 2.12 21
  73 99.99 999
  74 11.54 115
  75 13.46 135
  79 6.2 62
  81 13.21 132
  82 2.8 28
  83 3.72 37
  85 4.27 43
  87 2.43 24
  89 2.3 23
  91 4.89 49
  93 12.81 128
  95 11.73 117
  96 2.58 26
  97 6.52 65
  99 4.09 41
  101 4.7 47
  103 9.82 98
  105 12.94 129
  106 2.7 27
  107 11.31 113
  108 3.52 35
  109 8.61 86
  111 3.09 31
  113 1.92 19
  115 8.78 88
  116 2.4 24
  117 6.07 61
  119 7 70
  120 2.41 24
  121 9.4 94
  122 3.39 34
  123 3.33 33
  125 4.49 45
  126 5.53 55
  127 2.2 22
  129 14.81 148
  130 3.7 37
  131 11.82 118
  132 2.09 21
  133 13.92 139
  134 2.59 26
  135 3.81 38
  139 92.54 925
  140 14.09 141
  141 3.1 31
  142 4.31 43
  143 16.09 161
  144 2.83 28
  145 8.18 82
  146 2.47 25
  147 80.1 801
  148 12.17 122
  149 10.61 106
  151 2.43 24
  155 3.29 33
  157 6.3 63
  158 2 20
  159 7.82 78
  160 14.21 142
  161 8.03 80
  162 2.11 21
  163 2.64 26
  165 2.4 24
  167 4.06 41
  168 2.62 26
  169 6.8 68
  170 2.49 25
  171 3.6 36
  172 2.42 24
  173 4.91 49
  174 2 20
  175 2.5 25
  177 4.53 45
  179 2.23 22
  180 2.57 26
  181 5.6 56
  182 2.27 23
  183 2.21 22
  184 1.69 17
  185 3.03 30
  187 10.5 105
  188 2.17 22
  189 2 20
  191 20.41 204
  192 4.91 49
  193 5.16 52
  194 2.28 23
  195 5.87 59
  197 3.23 32
  199 3.5 35
  201 4.81 48
  202 2.47 25
  203 2.63 26
  204 8.03 80
  205 6.41 64
  207 19.09 191
  208 4.71 47
  209 4.68 47
  211 2.7 27
  213 5.18 52
  215 11.78 118
  217 17.22 172
  218 9.07 91
  220 5.79 58
  225 4 40
  227 2.53 25
  228 2.1 21
  229 4.42 44
  230 96.93 969
  231 27.78 278
  232 12.21 122
  233 2.69 27
  239 2.08 21
  241 3.4 34
  243 4.9 49
  244 2.82 28
  251 5.63 56
  252 2.49 25
  253 2 20
  257 3.49 35
  265 6 60
  266 2.19 22
  267 4.13 41
  269 6.9 69
  270 2.01 20
  280 2.19 22
  281 10.51 105
  282 2.22 22
  305 5.3 53
  319 2.31 23
  325 2.09 21
  341 3.5 35
  342 2.09 21
  343 2.5 25
  344 20.1 201
  345 6.91 69
  346 2.03 20
  355 3.41 34
  357 4.59 46
  370 7.1 71
  371 3.91 39
  386 4.53 45
  388 2.42 24
  395 8.7 87
  396 2.78 28
  415 3.8 38
  429 3.39 34
  445 2.84 28
  458 66.82 668
  459 25.2 252
  460 11.27 113
  461 5.2 52
  471 7.06 71
  472 2.63 26
  484 12.7 127
  485 9.74 97
  486 4.61 46
  533 3.9 39
  550 2.21 22
  559 2.83 28
  560 2.21 22
  561 3.3 33
  574 9.09 91
  575 4.63 46
  637 4.7 47
  638 2.81 28
  664 11.8 118
  665 6.63 66
  666 2.51 25
//