ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008185
RECORD_TITLE: DIHYDROLANOSTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROLANOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₂O
CH$EXACT_MASS: 428.40182
CH$SMILES: C(C4(C)1)CC(O)C(C)(C)C(CCC(=C34)C(C(CC3)(C)2)(C)CCC2([H])C([H])(C)CCCC(C)C)1[H]
CH$IUPAC: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
CH$LINK: CAS 79-62-9
CH$LINK: INCHIKEY MBZYKEVPFYHDOH-BQNIITSRSA-N
CH$LINK: COMPTOX DTXSID101000181

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-06r6-9720200000-8c73cf86594c8bf58e5d
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
  27 4.68 47
  29 12.61 126
  39 2.87 29
  41 41.04 410
  42 4.34 43
  43 99.99 999
  53 3.25 33
  54 4.17 42
  55 48.42 484
  56 4.25 43
  57 43.15 432
  58 2.11 21
  65 1.62 16
  67 12.93 129
  68 1.53 15
  69 48.42 484
  70 3.4 34
  71 20.59 206
  72 1.78 18
  77 4.57 46
  78 1.22 12
  79 11.23 112
  80 1.81 18
  81 20.84 208
  82 2.28 23
  83 25.16 252
  84 2.15 22
  85 5.82 58
  91 14.83 148
  92 2.3 23
  93 17.89 179
  94 3.22 32
  95 36.21 362
  96 3.67 37
  97 16.52 165
  98 1.73 17
  99 1.66 17
  103 1.16 12
  105 21.26 213
  106 3.45 35
  107 23.08 231
  108 4.45 45
  109 19.43 194
  110 2.64 26
  111 12.77 128
  112 1.61 16
  113 1.52 15
  115 2.09 21
  116 1.23 12
  117 4.85 49
  118 1.89 19
  119 20.61 206
  120 4.27 43
  121 19.49 195
  122 4.24 42
  123 11.15 112
  124 1.43 14
  125 4.55 46
  127 1.52 15
  128 2.49 25
  129 4.15 42
  130 2.41 24
  131 9.05 91
  132 2.71 27
  133 14.78 148
  134 4.14 41
  135 19.21 192
  136 3.79 38
  137 5.67 57
  139 2.1 21
  141 1.96 20
  142 1.72 17
  143 4.16 42
  144 2.56 26
  145 9.81 98
  146 3.2 32
  147 11.73 117
  148 2.71 27
  149 8.25 83
  150 1.97 20
  151 2.7 27
  152 1.17 12
  153 3.21 32
  155 1.66 17
  156 1.46 15
  157 4.39 44
  158 1.69 17
  159 10.11 101
  160 3.04 30
  161 13.42 134
  162 2.78 28
  163 6.38 64
  164 1.49 15
  165 2.53 25
  169 1.61 16
  171 4.3 43
  172 1.73 17
  173 8.33 83
  174 2.57 26
  175 9.04 90
  176 1.99 20
  177 2.48 25
  179 2.82 28
  183 1.48 15
  185 3.89 39
  186 2 20
  187 10.84 108
  188 2.45 25
  189 8.41 84
  190 1.56 16
  191 3.09 31
  193 2.59 26
  197 1.46 15
  199 3.91 39
  200 1.57 16
  201 4.55 46
  202 1.01 10
  203 3.49 35
  205 3.01 30
  206 1.09 11
  207 2.46 25
  213 3.62 36
  214 3.25 33
  215 6.9 69
  216 1.51 15
  217 1.47 15
  219 3.31 33
  220 1.05 11
  225 1.01 10
  227 5.28 53
  228 1.48 15
  229 6.01 60
  230 1.21 12
  231 1.84 18
  233 2.55 26
  241 5.92 59
  242 1.41 14
  243 3.82 38
  245 3.09 31
  246 1.16 12
  247 4.75 48
  255 4.13 41
  256 1.04 10
  257 1.99 20
  259 6.53 65
  260 1.85 19
  261 5.12 51
  262 1.2 12
  267 1.01 10
  269 1.49 15
  271 1.55 16
  273 11.04 110
  274 4.59 46
  275 5.86 59
  276 1.76 18
  281 1.19 12
  283 2.5 25
  285 1.46 15
  287 2.1 21
  288 2.24 22
  289 1.09 11
  297 1.33 13
  299 4.7 47
  300 1.36 14
  301 1.13 11
  313 1.53 15
  315 1.71 17
  355 1.13 11
  378 7.77 78
  379 1.29 13
  395 27.96 280
  396 8.78 88
  397 2.11 21
  398 1.27 13
  399 2.04 20
  411 1.21 12
  412 1.1 11
  413 61.7 617
  414 24.77 248
  415 4.36 44
  428 23.61 236
  429 7.89 79
  430 1.35 14
//