ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001885
RECORD_TITLE: 5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7); 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$NAME: 5ALPHA-CHOLESTAN-3BETA-OL (25,26,26,26,27,27,27-D7)
CH$NAME: CHOLESTANOL (25,26,26,26,27,27,27-D7)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈O
CH$EXACT_MASS: 388.37052
CH$SMILES: C(C(C([2H])([2H])[2H])([2H])CCCC(C)C(C1)C(C)(C4)C(C(C([H])2C4)([H])CCC([H])(C3)C2(C)CCC3([H])O)([H])C1)([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23?,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
CH$LINK: INCHIKEY QYIXCDOBOSTCEI-ZIXNOYIFSA-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$SPLASH: splash10-00ls-8963000000-5a98800e67e851e83be5
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  40 6.4 64
  41 26.9 269
  42 4.6 46
  43 21.6 216
  44 7.3 73
  45 6.2 62
  46 9.6 96
  47 5.7 57
  48 3.8 38
  49 6.6 66
  50 19.7 197
  53 5.8 58
  54 2.5 25
  55 50 500
  56 9.3 93
  57 19.8 198
  58 5.6 56
  59 4.3 43
  60 8.2 82
  61 6.2 62
  62 2.8 28
  63 7 70
  64 5.7 57
  65 2.5 25
  66 1.7 17
  67 37 370
  68 14.6 146
  69 27.4 274
  70 7.7 77
  71 6.8 68
  72 3.2 32
  73 3 30
  74 4.2 42
  75 7.7 77
  76 3.1 31
  77 8.9 89
  78 3.5 35
  79 32.1 321
  80 8.7 87
  81 56.3 563
  82 13.1 131
  83 16.4 164
  84 4.8 48
  85 3.8 38
  86 2.3 23
  87 3.1 31
  88 2 20
  89 2.5 25
  90 1.3 13
  91 22.8 228
  92 6.2 62
  93 41.2 412
  94 18.2 182
  95 53.1 531
  96 9.6 96
  97 11.7 117
  98 3.6 36
  99 3.1 31
  100 1.3 13
  101 2.6 26
  103 1.3 13
  104 2.4 24
  105 24.6 246
  106 14.5 145
  107 52.4 524
  108 44.6 446
  109 35.4 354
  110 8.7 87
  111 9 90
  112 2.5 25
  113 1.7 17
  115 3.8 38
  117 4 40
  118 2.7 27
  119 18.5 185
  120 14.1 141
  121 31.3 313
  122 21.2 212
  123 22.7 227
  124 17.9 179
  125 5.2 52
  126 1.2 12
  128 3.3 33
  129 2.2 22
  130 1 10
  131 6.8 68
  132 2.8 28
  133 17.7 177
  134 11.5 115
  135 24.5 245
  136 11.1 111
  137 9.2 92
  138 4.9 49
  139 1.2 12
  143 1.8 18
  144 1.3 13
  145 11.1 111
  146 4.4 44
  147 28.3 283
  148 20.5 205
  149 33.5 335
  150 5.4 54
  151 4.4 44
  152 1.2 12
  157 1.3 13
  158 1 10
  159 8.9 89
  160 6.8 68
  161 16.5 165
  162 8.8 88
  163 8.5 85
  164 4.4 44
  165 53.1 531
  166 18.2 182
  167 4 40
  171 1.1 11
  173 7.5 75
  174 3.8 38
  175 8.2 82
  176 4.2 42
  177 3.9 39
  178 3.5 35
  179 2 20
  185 1.1 11
  187 5.3 53
  188 3.4 34
  189 4.6 46
  190 7.6 76
  191 5 50
  192 2.6 26
  198 3.1 31
  199 3 30
  200 1.9 19
  201 11.8 118
  202 3.6 36
  203 5.1 51
  204 2.6 26
  205 3.6 36
  206 3.8 38
  213 1.8 18
  214 1.6 16
  215 83.7 837
  216 33 330
  217 45.7 457
  218 8.8 88
  219 14.7 147
  220 4.6 46
  229 3.4 34
  230 9.9 99
  231 15.5 155
  232 10.1 101
  233 99.99 999
  234 67.5 675
  235 11.3 113
  236 1.1 11
  243 1.1 11
  246 1.5 15
  247 1.3 13
  248 17.8 178
  249 3.5 35
  254 1.4 14
  255 1.8 18
  257 7.3 73
  258 1.7 17
  268 1.2 12
  269 16 160
  270 4.8 48
  271 1.4 14
  273 2.2 22
  274 1.2 12
  282 1 10
  283 1.1 11
  285 4.6 46
  286 1 10
  295 1.6 16
  296 1.3 13
  322 1.2 12
  323 3.4 34
  331 1.3 13
  338 3.4 34
  345 1.4 14
  346 3.8 38
  347 1.3 13
  359 1.3 13
  360 1 10
  361 1.1 11
  362 23.7 237
  363 6.4 64
  364 1.2 12
  366 3 30
  376 1.7 17
  377 10.1 101
  378 4.7 47
  379 2.6 26
  380 38.3 383
  381 11.6 116
  382 1.9 19
  393 5.4 54
  394 4.8 48
  395 95.2 952
  396 28.8 288
  397 4.3 43
//