ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001889
RECORD_TITLE: 5ALPHA-CHOLEST-3-ENE; 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$NAME: 5ALPHA-CHOLEST-3-ENE
CH$NAME: 3-CHOLESTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₆
CH$EXACT_MASS: 370.35995
CH$SMILES: C(C1)C=CC([H])(C4)C(C(C3([H])C4)([H])CCC(C3([H])2)(C)C([H])(CC2)C(CCCC(C)C)([H])C)(C)1
CH$IUPAC: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY SFBMPHLOQAKIBY-XWLABEFZSA-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$SPLASH: splash10-05mo-9822000000-e0bad95790c46a6d8813
PK$NUM_PEAK: 218
PK$PEAK: m/z int. rel.int.
  36 8 80
  38 3.1 31
  39 8.4 84
  40 3.6 36
  41 61.3 613
  42 8.2 82
  43 99.99 999
  45 29.9 299
  46 11.4 114
  50 6.8 68
  52 2.3 23
  53 14.8 148
  54 6.5 65
  55 85.9 859
  56 11.6 116
  57 57 570
  58 2.4 24
  59 12.4 124
  65 8 80
  66 4.5 45
  67 60.1 601
  68 16.7 167
  69 52 520
  70 7.5 75
  71 24.6 246
  72 1.8 18
  73 1 10
  74 2.8 28
  77 26 260
  78 8.5 85
  79 74.4 744
  80 18.2 182
  81 86.4 864
  82 17.4 174
  83 36.9 369
  84 3.8 38
  85 4.6 46
  87 2 20
  89 1.2 12
  90 2.4 24
  91 72.7 727
  92 25.2 252
  93 84.1 841
  94 33.2 332
  95 79.7 797
  96 9.5 95
  97 23.6 236
  98 2.9 29
  99 1.9 19
  100 8.6 86
  101 2.7 27
  103 2.9 29
  104 10.9 109
  105 69 690
  106 60.4 604
  107 73.4 734
  108 44.4 444
  109 42.7 427
  110 6.5 65
  111 33.1 331
  112 5.6 56
  113 4.2 42
  114 2.3 23
  115 5.4 54
  116 1 10
  117 12.5 125
  118 5.7 57
  119 35.3 353
  120 20.7 207
  121 36.2 362
  122 14.3 143
  123 24.3 243
  124 3.6 36
  125 5 50
  126 3.4 34
  127 1.4 14
  128 5.6 56
  129 4 40
  130 2.6 26
  131 15 150
  132 6.3 63
  133 31.6 316
  134 16.6 166
  135 25.5 255
  136 7.9 79
  137 8.3 83
  138 4.4 44
  139 3.7 37
  140 3 30
  141 4.9 49
  143 1.7 17
  144 2.9 29
  145 22.7 227
  146 8.6 86
  147 54.9 549
  148 18.3 183
  149 19.4 194
  150 3.7 37
  151 5.7 57
  152 2.3 23
  153 4.5 45
  154 1.3 13
  155 1.3 13
  156 1 10
  157 1.1 11
  158 1.5 15
  159 13.3 133
  160 11.2 112
  161 53.5 535
  162 29.2 292
  163 12.3 123
  164 3 30
  165 2.8 28
  166 3 30
  167 3.6 36
  171 1.9 19
  172 5 50
  173 12.5 125
  174 6.8 68
  175 15.4 154
  176 40.1 401
  177 15.2 152
  178 2.4 24
  179 0.28 3
  181 2.1 21
  185 3.7 37
  186 3.6 36
  187 0.89 9
  188 8.2 82
  189 9.2 92
  190 6.5 65
  192 0.18 2
  193 2.1 21
  194 4.2 42
  197 1.3 13
  198 0.41 4
  199 3.1 31
  201 25 250
  202 12.3 123
  203 4.86 49
  204 7.6 76
  205 1 10
  206 1.4 14
  207 0.15 2
  214 1.6 16
  215 92.7 927
  216 54.6 546
  217 2.5 25
  218 4 40
  219 2.6 26
  220 2.4 24
  221 0.23 2
  222 2.4 24
  225 1.5 15
  226 2.3 23
  227 0.28 3
  229 5.4 54
  230 19 190
  231 8 80
  232 0.33 3
  233 1 10
  241 2.2 22
  242 2.1 21
  243 0.32 3
  244 2.2 22
  245 1.1 11
  246 1.5 15
  247 0.27 3
  249 2.6 26
  251 3 30
  252 1.2 12
  253 0.14 1
  255 3.1 31
  256 4.5 45
  257 31.1 311
  258 0.81 8
  259 1.1 11
  260 2.9 29
  261 3 30
  262 0.64 6
  263 2 20
  267 2.9 29
  268 2.6 26
  271 0.29 3
  272 1.3 13
  273 1 10
  275 6.1 61
  276 0.23 2
  279 1.6 16
  280 2 20
  281 2.2 22
  285 0.32 3
  287 4.8 48
  300 2.7 27
  301 10.2 102
  302 0.42 4
  306 2.7 27
  313 2.2 22
  314 2.7 27
  315 0.58 6
  316 83.5 835
  317 22.3 223
  318 2.7 27
  325 0.18 2
  328 2.5 25
  333 1.4 14
  334 1.6 16
  339 0.27 3
  341 3.3 33
  355 37.9 379
  356 11.8 118
  357 0.22 2
  366 2.5 25
  368 1.2 12
  370 91.4 914
  371 2.95 30
  372 5 50
  399 1.1 11
//