ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002694
RECORD_TITLE: DIHYDROCHOLESTEROL; 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$NAME: DIHYDROCHOLESTEROL
CH$NAME: CHOLESTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈O
CH$EXACT_MASS: 388.37052
CH$SMILES: [H]C(C)(CCCC(C)C)C(C1(C)4)([H])CCC1(C(C([H])2CC4)([H])CCC([H])(C3)C2(C)CCC3([H])O)[H]
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: CAS 80-97-7
CH$LINK: INCHIKEY QYIXCDOBOSTCEI-QCYZZNICSA-N
CH$LINK: COMPTOX DTXSID40883258

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$SPLASH: splash10-0159-2971000000-c73c47a340a1d4a167e1
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  55 7.8 78
  56 1.1 11
  57 0.67 7
  69 11.3 113
  70 1.9 19
  71 0.57 6
  77 4.1 41
  78 1.4 14
  79 14.5 145
  80 0.4 4
  81 29 290
  82 7.4 74
  83 12 120
  84 0.14 1
  85 0.19 2
  93 25.2 252
  94 11.5 115
  95 39 390
  96 0.57 6
  97 12.3 123
  98 0.12 1
  105 17.7 177
  106 14.7 147
  107 45.9 459
  108 4.28 43
  109 31.1 311
  110 5.7 57
  111 11.5 115
  112 0.13 1
  117 3.3 33
  118 2.3 23
  119 16.1 161
  120 1.32 13
  121 34 340
  122 23.5 235
  123 26.7 267
  124 1.57 16
  125 6.3 63
  126 1.2 12
  133 16.7 167
  134 13.3 133
  135 25 250
  136 1.31 13
  137 10.6 106
  138 5 50
  139 0.17 2
  145 12 120
  146 4.6 46
  147 30 300
  148 1.5 15
  149 23.4 234
  150 4.6 46
  151 5.2 52
  152 0.31 3
  153 0.11 1
  157 1.2 12
  161 21.2 212
  162 12.4 124
  163 11.1 111
  164 0.47 5
  165 52.3 523
  166 19.2 192
  167 0.43 4
  173 8.6 86
  174 4.9 49
  175 10.2 102
  176 0.73 7
  177 5.8 58
  178 5 50
  179 3.1 31
  189 6.8 68
  190 11 110
  191 7.4 74
  192 0.36 4
  193 0.28 3
  201 14.3 143
  202 4.9 49
  203 8.8 88
  204 0.37 4
  205 3.9 39
  206 5.8 58
  207 2.2 22
  208 0.27 3
  213 2 20
  214 1.5 15
  215 99.99 999
  216 4.11 41
  217 40.7 407
  218 7.2 72
  219 11.5 115
  220 0.35 4
  229 4.1 41
  230 12 120
  231 17.8 178
  232 0.93 9
  233 87.7 877
  234 46.7 467
  235 8.4 84
  236 0.1 1
  243 1.9 19
  247 4.2 42
  248 12.7 127
  249 0.28 3
  256 1 10
  257 22.1 221
  258 5 50
  259 0.17 2
  260 1.3 13
  261 2.1 21
  262 12.7 127
  263 0.47 5
  264 0.14 1
  275 3.9 39
  276 0.19 2
  288 3.4 34
  289 0.2 2
  331 5.5 55
  332 1.6 16
  356 6.7 67
  357 1.2 12
  371 6 60
  372 1.8 18
  373 28.3 283
  374 0.84 8
  375 0.13 1
  387 1.4 14
  388 28.6 286
  389 9 90
  390 0.14 1
  391 0.2 2
//