ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001888
RECORD_TITLE: CHOLEST-3,5-DIENE; 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$NAME: CHOLEST-3,5-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₄
CH$EXACT_MASS: 368.34430
CH$SMILES: C(C3([H])4)(C)(C([H])(CC4)C(CCCC(C)C)([H])C)CCC(C3([H])1)([H])C(C)(C2)C(C=CC2)=CC1
CH$IUPAC: InChI=1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY RLHIRZFWJBOHHD-HKQCOZBKSA-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$SPLASH: splash10-05mp-6921000000-3279ad60b13326a18be4
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
  39 4.8 48
  40 1.3 13
  41 47.9 479
  42 4.9 49
  43 78.1 781
  45 1.8 18
  53 8.4 84
  54 1.4 14
  55 54.7 547
  56 5 50
  57 44 440
  58 2 20
  59 1 10
  65 0.47 5
  66 2.2 22
  67 41.9 419
  68 5.1 51
  69 30.7 307
  70 3 30
  71 22.5 225
  72 1.3 13
  77 16 160
  78 6.1 61
  79 40.3 403
  80 6.9 69
  81 85.6 856
  82 8.1 81
  83 19.5 195
  84 1.5 15
  85 5 50
  89 1 10
  90 1 10
  91 52.7 527
  92 15.4 154
  93 46.5 465
  94 13.4 134
  95 47.2 472
  96 4.8 48
  97 11.9 119
  100 1.1 11
  103 4.6 46
  104 5.5 55
  105 63 630
  106 20.6 206
  107 57 570
  108 21.5 215
  109 28.9 289
  110 3.5 35
  111 7.4 74
  112 1.1 11
  113 1.2 12
  114 1.2 12
  115 7.6 76
  116 5 50
  117 21.8 218
  118 10 100
  119 28.3 283
  120 37.3 373
  121 35.5 355
  122 9.4 94
  123 12.9 129
  124 1.7 17
  125 2.3 23
  127 2.6 26
  128 9.2 92
  129 15.5 155
  130 8.6 86
  131 28.9 289
  132 8.4 84
  133 31.5 315
  134 8.9 89
  135 25.9 259
  136 5.5 55
  137 5.4 54
  141 4.8 48
  142 5.7 57
  143 29.6 296
  144 11.3 113
  145 66.3 663
  146 22.9 229
  147 82.5 825
  148 18.6 186
  149 17.9 179
  150 3 30
  151 4.2 42
  152 1.1 11
  153 1.7 17
  155 3.9 39
  156 2.4 24
  157 13.2 132
  158 11.8 118
  159 26.5 265
  160 20 200
  161 21.4 214
  162 6.1 61
  163 11.3 113
  164 1.6 16
  165 2.8 28
  167 1.2 12
  169 2.3 23
  170 1.1 11
  171 7.4 74
  172 3.5 35
  173 7.3 73
  174 4.3 43
  175 6.5 65
  176 2.3 23
  177 3.5 35
  179 1.5 15
  183 1.9 19
  184 1 10
  185 7.6 76
  186 3 30
  187 4.1 41
  188 1 10
  189 2.3 23
  190 1 10
  191 3.4 34
  192 1 10
  193 3.7 37
  197 2.3 23
  198 1.4 14
  199 8.6 86
  200 4.7 47
  201 6.5 65
  202 1.6 16
  203 1.6 16
  205 7.3 73
  206 5.3 53
  207 1.9 19
  211 1 10
  212 1.7 17
  213 27.7 277
  214 7.5 75
  215 3.3 33
  216 1.4 14
  217 3.6 36
  218 2.1 21
  219 2.6 26
  227 2.8 28
  228 6.6 66
  229 3.8 38
  230 1 10
  231 1.1 11
  232 1.2 12
  239 1.1 11
  241 2.4 24
  242 1.1 11
  245 5 50
  246 5 50
  247 36.9 369
  248 8.5 85
  249 1.4 14
  254 1.2 12
  255 28.7 287
  256 6.4 64
  257 1.3 13
  258 1.2 12
  259 4.4 44
  260 25.5 255
  261 8.8 88
  262 1.8 18
  274 2.2 22
  275 1.3 13
  283 3.1 31
  284 1.3 13
  314 1 10
  326 4 40
  327 1.3 13
  339 2.2 22
  340 1.3 13
  353 31.1 311
  354 9.1 91
  355 1.5 15
  367 2.6 26
  368 99.99 999
  369 31.5 315
  370 4.8 48
//