ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002704
RECORD_TITLE: DIHYDROCHOLESTEROL METHYL ETHER; 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$NAME: DIHYDROCHOLESTEROL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H50O
CH$EXACT_MASS: 402.38617
CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C3(C)2)(C([H])(CCC2CC(CC3)([H])OC)1)[H]
CH$IUPAC: InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27+,28-/m1/s1
CH$LINK: INCHIKEY FMSSVYNONQQPON-IOESSVONSA-N
AC$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: splash10-014j-2981000000-25903405d185ae526e63
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  55 4.6 46
  57 3.8 38
  67 7 70
  68 2.4 24
  69 7.5 75
  71 9.3 93
  72 1 10
  73 0.22 2
  77 2.8 28
  79 9.9 99
  80 2.4 24
  81 1.78 18
  82 3.7 37
  83 3.4 34
  84 3.2 32
  91 1.02 10
  92 3 30
  93 17.4 174
  94 7 70
  95 2.27 23
  96 2.9 29
  97 8.2 82
  98 1.2 12
  101 0.14 1
  104 1.3 13
  105 11.8 118
  106 9.3 93
  107 3.12 31
  108 21.5 215
  109 18 180
  110 3 30
  111 0.56 6
  115 1.5 15
  117 2.8 28
  118 2.1 21
  119 1.09 11
  120 10.1 101
  121 21.7 217
  122 12.4 124
  123 1.42 14
  124 3.4 34
  125 4 40
  129 1.7 17
  131 0.54 5
  132 2.2 22
  133 12.7 127
  134 7.8 78
  135 1.63 16
  136 10.7 107
  137 6.2 62
  138 11.2 112
  139 0.42 4
  143 1.6 16
  145 10.1 101
  146 3.9 39
  147 2.51 25
  148 11.9 119
  149 17.7 177
  150 2.7 27
  151 0.53 5
  152 4.7 47
  153 1.2 12
  159 8.1 81
  160 0.77 8
  161 16.8 168
  162 9 90
  163 6.4 64
  164 0.13 1
  165 2.1 21
  167 1.1 11
  171 1 10
  173 0.89 9
  174 4.2 42
  175 8.2 82
  176 4.4 44
  177 0.43 4
  178 1.8 18
  179 35.9 359
  180 12.5 125
  181 0.36 4
  187 5.7 57
  188 4.4 44
  189 6.3 63
  190 1.34 13
  191 5.2 52
  192 3.1 31
  193 2.1 21
  199 0.14 1
  201 14.3 143
  202 4.8 48
  203 5.2 52
  204 0.36 4
  205 4.8 48
  206 2.5 25
  208 1.4 14
  213 0.11 1
  214 1 10
  215 99.99 999
  216 41.5 415
  217 3.66 37
  218 6.1 61
  219 2.3 23
  220 2.8 28
  229 0.38 4
  230 16.5 165
  231 6.2 62
  232 1.4 14
  233 0.51 5
  234 2.3 23
  243 1.7 17
  245 1.1 11
  246 0.18 2
  247 45.4 454
  248 38.2 382
  249 8.1 81
  250 0.12 1
  255 1 10
  257 7.3 73
  258 2.1 21
  260 0.12 1
  261 1.7 17
  262 23.1 231
  263 6.5 65
  264 1.8 18
  273 1.2 12
  275 2 20
  276 2.1 21
  285 0.2 2
  287 2.1 21
  288 1.9 19
  289 1.9 19
  301 0.14 1
  314 1.2 12
  316 1.7 17
  328 1.2 12
  344 0.25 3
  345 19.1 191
  346 5.5 55
  347 1.1 11
  355 2.67 27
  356 7.7 77
  357 1.4 14
  369 1.3 13
  370 0.85 9
  371 3.4 34
  372 1.4 14
  373 1 10
  374 0.1 1
  387 20.8 208
  388 6.3 63
  389 1.1 11
  401 0.1 1
  402 28.3 283
  403 9.5 95
  404 1.6 16
  405 0.5 5
//
