ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001884
RECORD_TITLE: 5ALPHA-CHOLESTAN-3ALPHA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 5ALPHA-CHOLESTAN-3ALPHA-OL
CH$NAME: EPICHOLESTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈O
CH$EXACT_MASS: 388.37052
CH$SMILES: C(C([H])41)([H])(C(C)(C([H])3CC4)CCC(C3)([H])O)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2
CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23?,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY QYIXCDOBOSTCEI-FLWZNDCUSA-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$SPLASH: splash10-00lr-8963000000-884dec03aaa000f672bc
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
  39 4.1 41
  40 4.5 45
  41 33.9 339
  42 5.5 55
  43 59.6 596
  44 4.5 45
  45 1.1 11
  53 5.7 57
  54 2.5 25
  55 56.8 568
  56 9.2 92
  57 43.5 435
  58 2.5 25
  59 1 10
  65 2.8 28
  66 1.9 19
  67 36.6 366
  68 13.8 138
  69 37.4 374
  70 6.5 65
  71 18.8 188
  72 1.1 11
  74 1.9 19
  77 7.9 79
  78 2.2 22
  79 31.7 317
  80 8.2 82
  81 57.3 573
  82 13.8 138
  83 23.4 234
  84 3.8 38
  85 5.9 59
  87 1.4 14
  91 22.2 222
  92 6 60
  93 40.8 408
  94 18.1 181
  95 54.3 543
  96 8.3 83
  97 16 160
  98 2.1 21
  99 2.5 25
  101 1.2 12
  104 2.1 21
  105 24.7 247
  106 14.7 147
  107 54 540
  108 41.8 418
  109 36.9 369
  110 7.3 73
  111 11.5 115
  112 1.7 17
  113 2.8 28
  115 3 30
  117 3.9 39
  118 2.6 26
  119 18.4 184
  120 13.8 138
  121 32 320
  122 22.4 224
  123 22.6 226
  124 17.7 177
  125 5.8 58
  126 1.1 11
  127 1 10
  128 3 30
  129 1.7 17
  131 6.8 68
  132 2.6 26
  133 18.3 183
  134 11.4 114
  135 24.7 247
  136 11.2 112
  137 9.5 95
  138 4.8 48
  139 1.4 14
  143 1.5 15
  144 1 10
  145 11.2 112
  146 4.3 43
  147 28.7 287
  148 20.2 202
  149 32.5 325
  150 5.1 51
  151 4.8 48
  152 2.8 28
  153 1 10
  157 1.1 11
  159 8.3 83
  160 6.4 64
  161 16.7 167
  162 8.6 86
  163 8.9 89
  164 4.2 42
  165 53.7 537
  166 17.9 179
  167 3.5 35
  171 1 10
  173 7.4 74
  174 3.7 37
  175 8.1 81
  176 4.1 41
  177 4 40
  178 3.4 34
  179 2.4 24
  180 1 10
  185 1 10
  187 5.3 53
  188 3.2 32
  189 4.6 46
  190 7.5 75
  191 5.2 52
  192 2.7 27
  193 1.8 18
  198 3.1 31
  199 3 30
  200 1.3 13
  201 11.9 119
  202 3.3 33
  203 5.2 52
  204 2.8 28
  205 3.9 39
  206 4.1 41
  207 1.4 14
  208 2.3 23
  213 1.7 17
  214 1.2 12
  215 83.7 837
  216 32.8 328
  217 44.7 447
  218 8.4 84
  219 14.9 149
  220 4.1 41
  229 3.3 33
  230 9.6 96
  231 17.3 173
  232 10.7 107
  233 99.99 999
  234 64.7 647
  235 10.6 106
  236 1 10
  243 1.2 12
  246 1.9 19
  247 2.8 28
  248 17.8 178
  249 3.5 35
  255 1.4 14
  257 7.4 74
  258 1.7 17
  259 1 10
  260 1 10
  261 1.2 12
  262 18.5 185
  263 5.2 52
  264 1 10
  273 2.2 22
  274 1.3 13
  275 1.6 16
  285 2.3 23
  288 1.7 17
  289 1.5 15
  301 1.1 11
  315 1.2 12
  316 3.6 36
  331 3.7 37
  332 1 10
  338 1.4 14
  355 26.7 267
  356 7.6 76
  357 1.4 14
  359 3 30
  369 1.8 18
  370 10.1 101
  371 5.2 52
  372 1.6 16
  373 39.7 397
  374 11.6 116
  375 1.6 16
  386 6.6 66
  387 2.4 24
  388 92.4 924
  389 27.5 275
  390 4.1 41
//