ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003478
RECORD_TITLE: CHOLESTEROL; 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$NAME: CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₆O
CH$EXACT_MASS: 386.35487
CH$SMILES: C(C2([H])3)([H])(C(C)(C4)C(CC(C4)([H])O)=CC3)CCC(C2([H])1)(C)C([H])(CC1)C(CCCC(C)C)([H])C
CH$IUPAC: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY HVYWMOMLDIMFJA-DPAQBDIFSA-N
CH$LINK: COMPTOX DTXSID3022401

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0mkr-2954000000-60e7d1f5973e4de33dec
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
  43 4.35 44
  57 21.26 213
  67 3.39 34
  69 18.48 185
  71 18.71 187
  81 33.85 339
  82 6.54 65
  83 27.45 275
  85 5.63 56
  93 11.25 113
  94 9.84 98
  95 38.54 385
  96 6.05 61
  97 22.54 225
  105 13.99 140
  106 7.02 70
  107 50.86 509
  108 16.21 162
  109 33.12 331
  110 4.45 45
  111 13.38 134
  113 1.85 19
  118 2.9 29
  119 14.14 141
  120 27.33 273
  121 29.18 292
  122 8.04 80
  123 16.46 165
  124 11.15 112
  125 18.93 189
  131 10.52 105
  132 4.98 50
  133 20.48 205
  134 11.63 116
  135 36.41 364
  136 7.07 71
  137 11.02 110
  138 5.1 51
  139 3.09 31
  143 6.62 66
  144 2.3 23
  145 35.26 353
  146 10.69 107
  147 26.09 261
  148 8.37 84
  149 24.73 247
  150 4.07 41
  151 8.92 89
  152 3.43 34
  157 4.71 47
  158 13.01 130
  159 24.06 241
  160 26.21 262
  161 37.22 372
  162 8.78 88
  163 39.11 391
  164 6.73 67
  165 7.83 78
  171 5.87 59
  172 2.27 23
  173 16.25 163
  174 6.73 67
  175 8.06 81
  176 4.61 46
  177 9.47 95
  178 20.03 200
  179 9.48 95
  185 9.04 90
  186 3.95 40
  187 9.41 94
  188 1.69 17
  189 5.15 52
  191 9.28 93
  192 1.18 12
  193 6.27 63
  199 11.17 112
  200 2.9 29
  201 6.99 70
  203 2.11 21
  205 6.36 64
  206 5.11 51
  207 3.38 34
  213 41.13 411
  214 11.56 116
  215 7.27 73
  216 0.86 9
  217 4.54 45
  219 6.5 65
  220 4.87 49
  227 7.11 71
  228 12.47 125
  229 12.65 127
  230 2.12 21
  231 32.48 325
  232 10.66 107
  233 5.02 50
  241 4.33 43
  245 5.43 54
  246 11.17 112
  247 25.79 258
  248 6.97 70
  255 40.83 408
  256 8.01 80
  257 0.64 6
  259 3.12 31
  260 6.39 64
  261 6.06 61
  262 2.89 29
  273 30.64 306
  274 25.37 254
  275 89.54 895
  276 19.9 199
  277 0.89 9
  287 1.58 16
  300 3.17 32
  301 58.98 590
  302 13.91 139
  303 0.66 7
  313 3.65 37
  314 2.99 30
  326 8.79 88
  327 6.67 67
  328 2.05 21
  329 6.05 61
  340 0.89 9
  343 0.8 8
  353 36.61 366
  354 16.54 165
  355 3.06 31
  368 54.4 544
  369 15.07 151
  370 2.62 26
  371 40.65 407
  372 11.83 118
  373 0.59 6
  386 99.99 999
  387 28.74 287
  388 4.3 43
//