ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011413
RECORD_TITLE: 4-ANDROSTENE-3,17-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-007d-1960000000-167f1765b095da9d603b
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  43 2.03 20
  55 3.36 34
  57 1.23 12
  67 3.65 37
  69 1.95 20
  79 5.43 54
  80 1.21 12
  81 6.21 62
  82 1.51 15
  83 2.25 23
  91 3.78 38
  92 1.38 14
  93 8.59 86
  94 5.82 58
  95 8.3 83
  96 4.03 40
  97 21.61 216
  98 2.21 22
  105 9.19 92
  106 6.78 68
  107 23.41 234
  108 6.83 68
  109 28.69 287
  110 7.5 75
  111 5.1 51
  117 2.34 23
  118 2.6 26
  119 9.35 94
  120 5.44 54
  121 10 100
  122 12.32 123
  123 18.75 188
  124 65.62 656
  125 7.9 79
  129 1.29 13
  130 1.12 11
  131 5.36 54
  132 2.8 28
  133 7.62 76
  134 8.1 81
  135 8.94 89
  136 7.25 73
  137 6.29 63
  138 2.28 23
  143 2.18 22
  144 6.66 67
  145 10.81 108
  146 7.93 79
  147 8.6 86
  148 40 400
  149 15.53 155
  150 17.22 172
  151 3.64 36
  155 1.27 13
  156 1.21 12
  157 2.49 25
  158 1.99 20
  159 5.25 53
  160 3.59 36
  161 4.52 45
  162 13.17 132
  163 13.9 139
  164 5.64 56
  165 1.41 14
  169 1.2 12
  170 2.14 21
  171 2.06 21
  172 2.08 21
  173 6.6 66
  174 4.97 50
  175 2.94 29
  176 1.66 17
  177 1.5 15
  178 1.13 11
  183 3.44 34
  184 1.78 18
  185 2.41 24
  186 3.44 34
  187 7.86 79
  188 6.6 66
  189 2.9 29
  190 2.79 28
  197 2.81 28
  198 1.5 15
  199 1.69 17
  200 6 60
  201 22.18 222
  202 6.92 69
  203 1.77 18
  204 2.11 21
  209 1.22 12
  211 3.21 32
  212 3.33 33
  213 2.55 26
  214 1.54 15
  215 4.96 50
  216 6.4 64
  217 1.54 15
  224 1.07 11
  225 1.88 19
  226 2.67 27
  227 3.82 38
  228 1.14 11
  229 7.35 74
  230 5.52 55
  231 1.75 18
  240 1.42 14
  243 11.51 115
  244 68.89 689
  245 12.31 123
  246 1.66 17
  253 2.38 24
  257 1.72 17
  258 7.71 77
  259 1.42 14
  268 4.73 47
  269 2.16 22
  271 6.61 66
  272 1.78 18
  286 99.99 999
  287 21.82 218
  288 3.75 38
//