ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005754
RECORD_TITLE: STIGMASTEROL TMS ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: STIGMASTEROL TMS ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₂H₅₆OSi
CH$EXACT_MASS: 484.41004
CH$SMILES: C(C32[H])(C(C4)([H])C(C([H])(C4)C([H])(C)C=CC(CC)([H])C(C)C)(C)CC3)(CC=C(C21C)CC(CC1)(O[Si](C)(C)C)[H])[H]
CH$IUPAC: InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23-,24-,26+,27+,28-,29+,30+,31+,32-/m1/s1
CH$LINK: INCHIKEY SZLWSWKRZSAHBC-MZXORBNVSA-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$SPLASH: splash10-0543-4869200000-337216b766b8173b7f0c
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
  57 21.6 216
  69 11.3 113
  70 3.4 34
  71 7.1 71
  75 2.1 21
  81 21.1 211
  82 3.4 34
  83 78.8 788
  84 6 60
  85 2.1 21
  93 2.7 27
  94 3.2 32
  95 7.1 71
  96 3.2 32
  97 14.5 145
  105 2.5 25
  107 6.8 68
  108 2.3 23
  109 7 70
  110 3.1 31
  111 3.8 38
  119 5.8 58
  120 3.2 32
  121 8.4 84
  122 2.8 28
  123 7 70
  124 2.3 23
  125 2.2 22
  129 62.1 621
  130 10.4 104
  131 6.6 66
  132 3.2 32
  133 18.3 183
  134 2.7 27
  135 5.7 57
  137 5.1 51
  138 2 20
  139 54.2 542
  140 5.7 57
  141 2.3 23
  143 8.3 83
  144 2.5 25
  145 13 130
  146 5.1 51
  147 13.8 138
  148 2.5 25
  149 4.9 49
  151 2.4 24
  155 8.1 81
  156 2.1 21
  157 3.2 32
  158 4.6 46
  159 13.8 138
  160 6 60
  161 9.3 93
  162 2.8 28
  163 3.9 39
  165 4.3 43
  166 2.9 29
  169 3.3 33
  171 2.4 24
  172 3.7 37
  173 4.4 44
  175 3.8 38
  177 2.5 25
  182 2.7 27
  185 3 30
  186 3 30
  187 3.8 38
  189 5.9 59
  196 3 30
  197 2.6 26
  199 4.4 44
  201 3.7 37
  203 3.5 35
  205 2 20
  211 4.6 46
  212 3.5 35
  213 1.05 11
  214 4.9 49
  215 12.4 124
  216 3.2 32
  217 4.8 48
  225 2.1 21
  227 5.2 52
  228 9.4 94
  229 5.5 55
  239 4 40
  240 4.1 41
  241 6.2 62
  242 2.7 27
  243 7.2 72
  253 14.5 145
  254 9.5 95
  255 74.3 743
  256 19.1 191
  257 8.7 87
  258 2.8 28
  267 4.2 42
  271 12.7 127
  272 3.4 34
  273 6.6 66
  281 6.8 68
  282 13.9 139
  283 9.9 99
  284 2.9 29
  295 4.3 43
  296 5.1 51
  300 2.5 25
  301 2.6 26
  309 4 40
  310 2.7 27
  318 4.7 47
  321 2.5 25
  327 2.7 27
  330 4.5 45
  342 5.6 56
  343 20.1 201
  344 11.9 119
  345 6.3 63
  346 2.3 23
  351 32 320
  352 13.2 132
  353 7 70
  354 20.8 208
  355 36.8 368
  356 10.6 106
  357 3.3 33
  365 2.7 27
  366 3.6 36
  367 2.5 25
  372 17 170
  373 5.9 59
  374 2.1 21
  379 24.9 249
  380 9 90
  382 5.2 52
  386 4.2 42
  394 99.99 999
  395 32.8 328
  396 7.4 74
  441 2.1 21
  469 9.7 97
  470 2.7 27
  471 2.4 24
  484 81 810
  485 33 330
//