ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011415
RECORD_TITLE: 5ALPHA-ANDROST-1-ENE-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$NAME: 5ALPHA-ANDROST-1-ENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆O₂
CH$EXACT_MASS: 286.19328
CH$SMILES: O=C(C=4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
CH$LINK: INCHIKEY WJIQCDPCDVWDDE-WZNAKSSCSA-N
CH$LINK: COMPTOX DTXSID60458467

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$SPLASH: splash10-00dl-1960000000-f8d0024068ac7689e29a
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  43 1.38 14
  55 3.27 33
  67 5.82 58
  68 1.99 20
  69 15.7 157
  79 5.49 55
  80 4.24 42
  81 9.04 90
  82 2.67 27
  83 1.59 16
  91 3.89 39
  92 1.39 14
  93 11.21 112
  94 5.77 58
  95 9.96 100
  96 1.9 19
  97 9.53 95
  98 1.37 14
  105 8.06 81
  106 4.3 43
  107 14.65 147
  108 13.68 137
  109 35.55 356
  110 17.19 172
  111 6.07 61
  117 1.74 17
  118 1.72 17
  119 7.36 74
  120 5.6 56
  121 22.01 220
  122 99.99 999
  123 25.25 253
  124 3.75 38
  131 4.45 45
  132 2.75 28
  133 9.23 92
  134 14.86 149
  135 9.58 96
  136 7.4 74
  137 3.08 31
  143 1.94 19
  144 2.7 27
  145 5.69 57
  146 4.87 49
  147 19.9 199
  148 8.05 81
  149 9.21 92
  150 5.1 51
  151 5.77 58
  152 2.82 28
  157 2.33 23
  158 2.79 28
  159 6.81 68
  160 5.1 51
  161 4.66 47
  162 2.42 24
  163 2.79 28
  164 3.92 39
  165 4.56 46
  171 1.71 17
  172 1.76 18
  173 4.43 44
  174 5.54 55
  175 2.97 30
  176 1.83 18
  177 3.94 39
  178 1.27 13
  183 1.64 16
  184 1.24 12
  185 2.47 25
  186 1.57 16
  187 4.3 43
  188 3.37 34
  189 3 30
  190 1.6 16
  197 1.2 12
  199 1.65 17
  200 2.81 28
  201 4.2 42
  202 34.1 341
  203 7.38 74
  211 1.51 15
  213 1.27 13
  214 1.32 13
  215 4.55 46
  216 10.45 105
  217 2.35 24
  227 3.22 32
  228 1.09 11
  229 5.4 54
  230 2.8 28
  231 1.57 16
  242 3.77 38
  243 3.52 35
  244 98.79 988
  245 18.62 186
  247 1.86 19
  253 2.43 24
  257 1.6 16
  259 4.2 42
  271 4.49 45
  272 1.05 11
  286 73.56 736
  287 15.79 158
  288 2.46 25
//