ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008290
RECORD_TITLE: STIGMASTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: STIGMASTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₄₆O
CH$EXACT_MASS: 410.35487
CH$SMILES: CC(C4([H])C(C=CC([H])(CC)C(C)C)([H])C)(C([H])3CC4)CCC(C([H])23)([H])C(C)(C1=CC2)CCC(C1)=O
CH$IUPAC: InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,24-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: INCHIKEY XWDAKKDQJHVMKG-LPJPOILFSA-N

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-060v-9741000000-5544f165344ed92e3610
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
  29 12.87 129
  41 41.31 413
  43 48.89 489
  53 3.85 39
  55 99.99 999
  56 3.43 34
  57 23.16 232
  67 25.61 256
  68 3.08 31
  69 56.28 563
  70 2.77 28
  71 12.81 128
  77 9.13 91
  79 23.72 237
  80 3.74 37
  81 55.86 559
  82 9.66 97
  83 44.94 449
  84 6.25 63
  85 5.52 55
  91 18.11 181
  92 2.1 21
  93 29.24 292
  94 7.78 78
  95 39.02 390
  96 9.29 93
  97 42.08 421
  98 3 30
  105 20.4 204
  106 4.27 43
  107 24.21 242
  108 6.4 64
  109 24.32 243
  110 4.25 43
  111 8.64 86
  117 4.25 43
  119 14.11 141
  120 5.73 57
  121 21.58 216
  122 11.47 115
  123 32.37 324
  124 56.11 561
  125 7.95 80
  129 2.16 22
  131 8.34 83
  132 1.81 18
  133 16.07 161
  134 6.19 62
  135 21.29 213
  136 5.87 59
  137 17.05 171
  138 2.77 28
  139 2.1 21
  143 2.84 28
  145 9.85 99
  146 3.23 32
  147 25.38 254
  148 11.04 110
  149 24.15 242
  150 2.87 29
  151 4.15 42
  157 4.16 42
  159 8.97 90
  160 2.31 23
  161 13.96 140
  162 3.11 31
  163 7.66 77
  165 1.52 15
  166 2.23 22
  171 2.75 28
  173 7.41 74
  174 3.9 39
  175 10.64 106
  176 2.73 27
  177 5.37 54
  185 3.51 35
  187 7.09 71
  188 1.03 10
  189 4.07 41
  191 2.14 21
  197 1.46 15
  199 1.43 14
  201 5.79 58
  202 1.71 17
  203 5.6 56
  211 2.82 28
  213 3.31 33
  215 6.16 62
  217 2.87 29
  225 1.73 17
  227 5.16 52
  228 1.55 16
  229 24.06 241
  230 6.77 68
  231 7.06 71
  241 1.04 10
  243 8.56 86
  244 4.32 43
  245 19 190
  246 3.44 34
  247 1.48 15
  253 12.59 126
  254 2.61 26
  255 4.02 40
  256 7.21 72
  257 7.68 77
  258 1.32 13
  260 4.98 50
  261 8.01 80
  262 1 10
  268 6.32 63
  269 28.05 281
  270 16.54 165
  271 47.91 479
  272 12.06 121
  273 2.2 22
  281 3.41 34
  283 6.45 65
  284 1.47 15
  285 2.44 24
  286 0.96 10
  297 10.59 106
  298 18.66 187
  299 11.31 113
  300 3.23 32
  311 0.46 5
  312 5.67 57
  313 4.19 42
  327 2.23 22
  342 5.3 53
  343 0.72 7
  349 2.88 29
  367 17.61 176
  368 8.45 85
  369 2.43 24
  370 0.67 7
  381 1.03 10
  384 13.86 139
  385 2.45 25
  395 0.9 9
  396 0.64 6
  410 20.04 200
  411 6.54 65
  412 3.48 35
//