ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002708
RECORD_TITLE: CHOLESTEROL 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$NAME: CHOLESTEROL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₄₈O₂
CH$EXACT_MASS: 428.36543
CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C(C)32)(C([H])(CC=C2CC(OC(C)=O)(CC3)[H])1)[H]
CH$IUPAC: InChI=1S/C29H48O2/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/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: CAS 604-35-3
CH$LINK: INCHIKEY XUGISPSHIFXEHZ-VEVYEIKRSA-N
CH$LINK: COMPTOX DTXSID60889358

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$SPLASH: splash10-014i-2933000000-06a568c5715ce75a703d
PK$NUM_PEAK: 187
PK$PEAK: m/z int. rel.int.
  44 1.5 15
  56 4.2 42
  57 4.1 41
  60 1 10
  65 1 10
  67 7.1 71
  69 6.1 61
  71 0.49 5
  77 4.4 44
  78 1.8 18
  79 10.3 103
  80 0.18 2
  81 21 210
  82 2.6 26
  83 5.2 52
  85 0.1 1
  91 19.9 199
  92 5.8 58
  93 18.2 182
  94 0.47 5
  95 19.2 192
  96 2.1 21
  97 4.8 48
  103 0.22 2
  104 2.7 27
  105 28.5 285
  106 9.9 99
  107 2.58 26
  108 8.7 87
  109 14 140
  110 2.3 23
  111 0.41 4
  113 1 10
  115 4.7 47
  116 2.8 28
  117 1.28 13
  118 7.7 77
  119 18.6 186
  120 18.6 186
  121 2.23 22
  122 5.7 57
  123 8.4 84
  124 1.3 13
  125 0.21 2
  127 2.5 25
  128 6.8 68
  129 10.8 108
  130 0.56 6
  131 20.8 208
  132 6.1 61
  133 23.7 237
  134 0.71 7
  135 19.9 199
  136 3.6 36
  137 4.1 41
  138 0.1 1
  139 1.3 13
  141 5.1 51
  142 5.6 56
  143 2.07 21
  144 9.7 97
  145 51.1 511
  146 17.7 177
  147 5.36 54
  148 11.9 119
  149 13.6 136
  150 1.4 14
  151 0.39 4
  152 1.8 18
  153 2.1 21
  154 1.2 12
  155 0.54 5
  156 3.2 32
  157 12.5 125
  158 11.6 116
  159 3.06 31
  160 19.5 195
  161 19.9 199
  162 5.6 56
  163 1.17 12
  164 1.9 19
  165 3.6 36
  166 1.5 15
  167 0.14 1
  168 1.7 17
  169 3.3 33
  170 1.7 17
  171 0.86 9
  172 4.2 42
  173 11.6 116
  174 4.8 48
  175 0.69 7
  176 1.8 18
  177 4.3 43
  178 1.6 16
  179 0.27 3
  181 1.1 11
  182 1 10
  183 2.7 27
  184 0.14 1
  185 9.2 92
  186 4 40
  187 5.1 51
  188 0.15 2
  189 2.4 24
  191 5 50
  192 1.6 16
  193 0.48 5
  194 1.5 15
  195 1.4 14
  197 4.7 47
  198 0.18 2
  199 11.4 114
  200 6.4 64
  201 9 90
  202 0.23 2
  203 1.4 14
  204 1.1 11
  205 7.4 74
  206 0.66 7
  207 2.4 24
  209 1 10
  211 2.6 26
  212 2.1 21
  213 32.4 324
  214 10 100
  215 5.5 55
  216 0.19 2
  217 1.5 15
  219 3.2 32
  220 1.4 14
  225 0.11 1
  226 1.2 12
  227 5 50
  228 8.2 82
  229 0.57 6
  230 1.3 13
  231 1.6 16
  232 1.1 11
  233 0.17 2
  239 1.5 15
  240 1.1 11
  241 3.4 34
  242 0.12 1
  243 1.2 12
  245 6.3 63
  246 5.9 59
  247 4.71 47
  248 11.5 115
  249 1.8 18
  251 1.5 15
  253 0.16 2
  254 1.1 11
  255 35.9 359
  256 8.8 88
  257 0.13 1
  258 1.4 14
  259 4.5 45
  260 25.5 255
  261 0.91 9
  262 1.7 17
  273 1.5 15
  274 3.3 33
  275 0.28 3
  283 4 40
  284 1.7 17
  287 1 10
  297 0.11 1
  314 4 40
  315 1.7 17
  325 1 10
  326 0.46 5
  327 1.4 14
  338 1.1 11
  339 2.3 23
  340 0.18 2
  351 1.5 15
  352 1.2 12
  353 43 430
  354 1.25 13
  355 2.2 22
  364 1.3 13
  366 4.3 43
  367 0.29 3
  368 99.99 999
  369 31.8 318
  370 4.9 49
//