ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002710
RECORD_TITLE: STIGMASTA-5,24(28)-DIEN-3-OL ACETATE; 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$NAME: STIGMASTA-5,24(28)-DIEN-3-OL ACETATE
CH$NAME: FUCOSTEROL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₅₀O₂
CH$EXACT_MASS: 454.38108
CH$SMILES: C(C)(=O)OC(C4)CC(C3(C)C4)=CCC(C([H])23)(C(C1)([H])C(CC2)(C(C1)C(C)CCC(=CC)C(C)C)C)[H]
CH$IUPAC: InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8,11,20-21,25-29H,9-10,12-19H2,1-7H3/b23-8-/t21-,25+,26+,27-,28+,29+,30+,31-/m1/s1
CH$LINK: CAS 51297-12-2
CH$LINK: INCHIKEY UKVGAWCNOIELAQ-VXFIQSPPSA-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$SPLASH: splash10-0002-5950000000-75ecb8e883695d41567a
PK$NUM_PEAK: 179
PK$PEAK: m/z int. rel.int.
  39 2.2 22
  40 1.6 16
  41 13.4 134
  42 2.5 25
  43 20 200
  44 1.7 17
  45 3.4 34
  53 0.41 4
  54 1.2 12
  55 40.6 406
  56 3.4 34
  57 0.48 5
  60 2.2 22
  65 2.3 23
  66 1.1 11
  67 1.54 15
  68 3.7 37
  69 25.7 257
  70 2.9 29
  71 0.3 3
  77 6.5 65
  78 1.7 17
  79 16.8 168
  80 0.26 3
  81 33.1 331
  82 5.9 59
  83 15.4 154
  84 0.22 2
  85 2.1 21
  91 22.8 228
  92 6 60
  93 2.26 23
  94 4.7 47
  95 23.4 234
  96 3.2 32
  97 1.45 15
  98 2.3 23
  103 2.5 25
  104 2.6 26
  105 2.91 29
  106 8.9 89
  107 24.1 241
  108 7.9 79
  109 1.69 17
  110 3.7 37
  111 5.3 53
  115 4.3 43
  116 0.23 2
  117 11.2 112
  118 5.8 58
  119 15.5 155
  120 1.53 15
  121 19.5 195
  122 5.4 54
  123 8.4 84
  124 0.16 2
  125 1.6 16
  127 1.1 11
  128 4.5 45
  129 0.82 8
  130 5 50
  131 17.1 171
  132 5.9 59
  133 1.79 18
  134 6.2 62
  135 11.5 115
  136 2.3 23
  137 0.62 6
  138 3.5 35
  139 1.6 16
  141 4.7 47
  142 0.38 4
  143 17.6 176
  144 7.7 77
  145 33.7 337
  146 1.25 13
  147 23.3 233
  148 7 70
  149 6.7 67
  151 0.19 2
  152 1 10
  153 1.3 13
  154 1.2 12
  155 0.4 4
  156 2.6 26
  157 11.6 116
  158 12.6 126
  159 1.94 19
  160 9.6 96
  161 18.1 181
  162 4.7 47
  163 0.45 5
  164 1.5 15
  165 2.9 29
  167 1.8 18
  169 0.32 3
  170 2.7 27
  171 7.3 73
  172 4.2 42
  173 1.07 11
  174 4 40
  175 10.8 108
  176 3.3 33
  177 0.3 3
  178 1.5 15
  179 1.4 14
  181 1.4 14
  183 0.38 4
  184 1.9 19
  185 7.3 73
  186 3.4 34
  187 0.6 6
  188 4.6 46
  189 7.6 76
  190 2.3 23
  191 0.2 2
  193 1.7 17
  195 1.8 18
  197 7.9 79
  198 0.37 4
  199 9.2 92
  200 3.7 37
  201 4.7 47
  202 2.3 23
  203 3.4 34
  209 1.7 17
  211 10.8 108
  212 4.1 41
  213 2.42 24
  214 8.6 86
  215 4.3 43
  216 1.5 15
  217 0.16 2
  225 3.3 33
  226 2.8 28
  227 8.4 84
  228 1.28 13
  229 5 50
  230 1.1 11
  231 1.1 11
  239 0.38 4
  240 2.3 23
  241 3.4 34
  242 1.6 16
  243 0.36 4
  244 1.1 11
  252 1.5 15
  253 17.8 178
  254 0.81 8
  255 12.8 128
  256 3.4 34
  257 1.6 16
  266 0.11 1
  267 3.1 31
  268 1.9 19
  269 2 20
  271 0.25 3
  272 1.6 16
  273 9.5 95
  274 2.9 29
  281 2.73 27
  282 9 90
  283 5.1 51
  284 1.7 17
  285 0.15 2
  286 3.9 39
  287 2.2 22
  295 2.2 22
  296 99.99 999
  297 27.4 274
  298 3.3 33
  352 2.1 21
  379 1.22 12
  380 4 40
  392 2.4 24
  393 1 10
  394 3.32 33
  395 11.2 112
  396 2.2 22
//