ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005721
RECORD_TITLE: 4-ANDROSTENE-3,17-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-ANDROSTENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆O₂
CH$EXACT_MASS: 286.19328
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
CH$LINK: INCHIKEY AEMFNILZOJDQLW-QAGGRKNESA-N
CH$LINK: COMPTOX DTXSID8024523

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$SPLASH: splash10-000f-8940000000-f2892fe3b281d44164c8
PK$NUM_PEAK: 167
PK$PEAK: m/z int. rel.int.
  15 1.23 12
  17 0.62 6
  26 0.83 8
  27 15.43 154
  28 9.67 97
  29 15.91 159
  32 1.1 11
  39 21.94 219
  40 4.94 49
  41 46.97 470
  42 6.03 60
  43 7.13 71
  44 1.44 14
  50 1.1 11
  51 5.83 58
  52 4.73 47
  53 23.25 233
  54 4.25 43
  55 34.22 342
  56 3.22 32
  57 2.4 24
  63 2.13 21
  64 1.3 13
  65 12.27 123
  66 6.51 65
  67 29.97 300
  68 5.76 58
  69 4.8 48
  70 0.55 6
  71 1.37 14
  76 0.75 8
  77 29.14 291
  78 9.74 97
  79 46.04 460
  80 8.57 86
  81 20.17 202
  82 3.29 33
  83 3.22 32
  85 0.75 8
  86 3.09 31
  87 2.2 22
  89 1.23 12
  90 0.82 8
  91 47 470
  92 8.58 86
  93 26.07 261
  94 10.15 102
  95 12.83 128
  96 5.01 50
  97 25.04 250
  98 21.13 211
  101 1.1 11
  102 0.89 9
  103 4.39 44
  104 3.57 36
  105 27.3 273
  106 10.22 102
  107 35.12 351
  108 10.63 106
  109 27.1 271
  110 7.48 75
  111 4.73 47
  115 7.48 75
  116 2.95 30
  117 10.56 106
  118 4.39 44
  119 18.18 182
  120 8.51 85
  121 13.79 138
  122 15.44 154
  123 19.14 191
  124 59.61 596
  125 6.99 70
  127 1.51 15
  128 5.28 53
  129 6.65 67
  130 2.81 28
  131 10.7 107
  132 4.32 43
  133 10.91 109
  134 9.74 97
  135 9.74 97
  136 7.82 78
  137 6.65 67
  138 1.92 19
  141 2.95 30
  142 1.99 20
  143 4.94 49
  144 7.48 75
  145 14.27 143
  146 8.58 86
  147 11.46 115
  148 31.35 314
  149 15.64 156
  150 18.45 185
  151 3.09 31
  155 2.13 21
  156 1.44 14
  157 3.64 36
  158 2.61 26
  159 7.27 73
  160 4.18 42
  161 4.94 49
  162 10.56 106
  163 12.9 129
  164 4.53 45
  165 1.3 13
  169 1.65 17
  170 2.47 25
  171 3.09 31
  172 2.4 24
  173 9.12 91
  174 5.9 59
  175 3.36 34
  176 1.65 17
  177 1.51 15
  178 1.03 10
  183 3.09 31
  184 1.51 15
  185 2.88 29
  186 3.84 38
  187 8.92 89
  188 7.07 71
  189 2.61 26
  190 2.4 24
  197 3.22 32
  198 1.37 14
  199 1.92 19
  200 6.11 61
  201 20.03 200
  202 6.93 69
  204 1.65 17
  211 3.09 31
  212 3.09 31
  213 2.4 24
  214 1.65 17
  215 4.94 49
  216 5.49 55
  217 1.17 12
  224 0.82 8
  225 1.85 19
  226 2.13 21
  227 3.09 31
  228 1.1 11
  229 7.13 71
  230 5.83 58
  231 1.23 12
  240 1.17 12
  241 0.55 6
  242 10.15 102
  243 6.65 67
  244 60 600
  245 11.04 110
  246 1.17 12
  253 2.13 21
  254 0.41 4
  257 1.3 13
  258 7.2 72
  259 1.37 14
  268 3.64 36
  269 1.51 15
  271 6.24 62
  272 1.3 13
  285 0.62 6
  286 99.99 999
  287 21.81 218
  288 2.74 27
//