ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002709
RECORD_TITLE: DIHYDROCHOLESTEROL 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$NAME: DIHYDROCHOLESTEROL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₅₀O₂
CH$EXACT_MASS: 430.38108
CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C(C)32)(C([H])(CCC2CC(OC(C)=O)(CC3)[H])1)[H]
CH$IUPAC: InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3/t20-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: INCHIKEY PHLIUSDPFOUISN-AQHAWAMTSA-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$SPLASH: splash10-014i-3982000000-c902c00ef807c3a99307
PK$NUM_PEAK: 173
PK$PEAK: m/z int. rel.int.
  44 1.4 14
  55 4.1 41
  56 1.3 13
  58 4.5 45
  66 1.2 12
  67 9.8 98
  68 2.3 23
  69 0.48 5
  70 1.4 14
  71 4.3 43
  77 4.1 41
  79 1.33 13
  80 3.3 33
  81 18.3 183
  82 3.4 34
  83 0.48 5
  91 12.8 128
  92 5.1 51
  93 20.1 201
  94 0.72 7
  95 20.1 201
  96 3.2 32
  97 5.3 53
  103 0.22 2
  104 3.9 39
  105 15.4 154
  106 12.8 128
  107 2.83 28
  108 16.8 168
  109 16.5 165
  110 2.7 27
  111 0.74 7
  115 2.6 26
  117 4.4 44
  118 3.1 31
  119 1.47 15
  120 9.1 91
  121 18.4 184
  122 7.4 74
  123 1.44 14
  124 3 30
  125 1.8 18
  127 2.4 24
  128 0.27 3
  129 1.8 18
  130 1.5 15
  131 6.9 69
  132 0.32 3
  133 14.8 148
  134 9.1 91
  135 15.9 159
  136 0.56 6
  137 3.7 37
  138 1.3 13
  139 1.8 18
  141 0.22 2
  142 1.6 16
  143 2.7 27
  144 1.4 14
  145 1.3 13
  146 6.1 61
  147 35.3 353
  148 11.3 113
  149 1.2 12
  150 1.7 17
  151 3.1 31
  152 1.5 15
  153 0.19 2
  155 1.4 14
  157 1.2 12
  158 1.5 15
  159 0.95 10
  160 8.7 87
  161 19.5 195
  162 11.6 116
  163 0.66 7
  164 1.5 15
  165 1.5 15
  167 1.8 18
  169 0.17 2
  171 1.8 18
  173 8.9 89
  174 4.9 49
  175 0.93 9
  176 10.9 109
  177 4.5 45
  178 1.9 19
  179 0.11 1
  181 1.3 13
  183 1.3 13
  185 1.4 14
  187 0.61 6
  188 6.6 66
  189 5.1 51
  190 2.1 21
  191 0.17 2
  194 1.5 15
  195 3 30
  197 3.7 37
  199 0.15 2
  201 23.1 231
  202 7.8 78
  203 12.5 125
  204 0.28 3
  205 2.7 27
  206 2.2 22
  212 1.6 16
  213 0.24 2
  214 1.6 16
  215 99.99 999
  216 46.7 467
  217 2.42 24
  218 3 30
  219 1.4 14
  220 1.8 18
  221 0.19 2
  229 5.1 51
  230 24.2 242
  231 9.3 93
  232 0.23 2
  234 1.5 15
  241 2.9 29
  243 2.1 21
  244 1.9 19
  245 2.8 28
  246 1.3 13
  247 4.5 45
  248 0.28 3
  249 1.4 14
  255 2.6 26
  256 3 30
  257 1.75 18
  258 4.2 42
  260 2.7 27
  261 5.3 53
  262 0.9 9
  263 3.5 35
  274 3.2 32
  275 22.5 225
  276 1.84 18
  277 3.6 36
  283 1.6 16
  285 2.8 28
  287 0.24 2
  288 2 20
  290 3 30
  291 1.2 12
  299 0.15 2
  301 4.4 44
  315 4.3 43
  316 8.6 86
  317 2 20
  328 0.2 2
  330 1.3 13
  342 1.2 12
  343 1.8 18
  353 0.15 2
  355 32.9 329
  356 10.6 106
  357 1.9 19
  368 0.25 3
  369 1.8 18
  370 30.7 307
  371 10.4 104
  373 0.13 1
  394 1.4 14
  396 1.5 15
  401 1.5 15
  415 0.39 4
  416 1.3 13
  430 9.9 99
  431 2 20
  432 0.38 4
//