ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009939
RECORD_TITLE: ANDROSTA-4,6-DIENE-3,17-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ANDROSTA-4,6-DIENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄O₂
CH$EXACT_MASS: 284.17763
CH$SMILES: O=C(C4)C=C(C=3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H24O2/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/h3-4,11,14-16H,5-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
CH$LINK: INCHIKEY YEWSFUFGMDJFFG-QAGGRKNESA-N
CH$LINK: COMPTOX DTXSID20979385

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-2940000000-8e4e9967462b026af63e
PK$NUM_PEAK: 137
PK$PEAK: m/z int. rel.int.
  27 2.9 29
  28 0.9 9
  29 3.9 39
  39 0.43 4
  41 10.9 109
  53 5.4 54
  55 11.5 115
  65 0.43 4
  67 9.3 93
  69 1.9 19
  77 9 90
  78 0.39 4
  79 12.9 129
  80 2.2 22
  81 8.5 85
  82 0.19 2
  83 3.6 36
  85 2.3 23
  91 17.4 174
  92 0.39 4
  93 9.8 98
  94 3.1 31
  95 7.6 76
  96 0.31 3
  97 9.8 98
  98 2.3 23
  103 3.1 31
  104 0.23 2
  105 18.6 186
  106 6.2 62
  107 31 310
  108 0.62 6
  109 7.8 78
  110 4.2 42
  111 2.2 22
  115 0.74 7
  116 3.1 31
  117 8.7 87
  118 4.2 42
  119 0.82 8
  120 3.3 33
  121 11.5 115
  122 7.1 71
  123 0.62 6
  124 12.9 129
  125 2 20
  127 2 20
  128 0.64 6
  129 7.8 78
  130 2.8 28
  131 12.6 126
  132 0.62 6
  133 7.8 78
  134 5.9 59
  135 4.7 47
  136 99.99 999
  137 13.6 136
  141 3.9 39
  142 3.1 31
  143 0.7 7
  144 4.7 47
  145 8.4 84
  146 4.7 47
  147 0.76 8
  148 12.1 121
  149 38.8 388
  150 8.2 82
  151 0.22 2
  153 2.2 22
  155 4.7 47
  156 2 20
  157 0.7 7
  158 4.2 42
  159 6.7 67
  160 6.2 62
  161 0.7 7
  162 7.8 78
  163 3.6 36
  167 1.1 11
  169 0.34 3
  170 2.6 26
  171 7.9 79
  172 4.5 45
  173 0.5 5
  174 3.4 34
  175 2.8 28
  181 2.2 22
  182 0.16 2
  183 4.7 47
  184 3.9 39
  185 7 70
  186 0.36 4
  187 3.1 31
  188 3.1 31
  195 3.1 31
  196 0.17 2
  197 3.3 33
  198 3.3 33
  199 6.4 64
  200 0.31 3
  201 3.9 39
  207 1.9 19
  209 4.7 47
  210 0.19 2
  211 3.1 31
  212 2.8 28
  213 5.7 57
  214 0.26 3
  215 2.2 22
  222 2 20
  223 2.6 26
  224 0.19 2
  225 1.9 19
  226 1.6 16
  227 11.6 116
  228 0.45 5
  229 2.8 28
  233 1.7 17
  240 25 250
  241 0.91 9
  242 6 60
  243 1.7 17
  244 8.7 87
  245 0.17 2
  251 6.8 68
  255 1.4 14
  256 4.2 42
  257 0.14 1
  266 9 90
  267 2.8 28
  269 8.1 81
  270 0.19 2
  284 65.1 651
  285 16.3 163
  286 14.4 144
  287 0.29 3
  288 2.6 26
//