ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009955
RECORD_TITLE: 6-HYDROXY-4-ANDROSTENE-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$NAME: 6-HYDROXY-4-ANDROSTENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆O₃
CH$EXACT_MASS: 302.18819
CH$SMILES: O=C(C4)C=C(C(O)3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16?,18+,19-/m0/s1
CH$LINK: INCHIKEY WVAMBAWFDOYFOD-WFJVDCJUSA-N

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$SPLASH: splash10-0uec-7942000000-d079c91515b751c3602b
PK$NUM_PEAK: 195
PK$PEAK: m/z int. rel.int.
  27 9.4 94
  28 3 30
  29 12.3 123
  31 0.13 1
  39 12.2 122
  40 2.3 23
  41 36.4 364
  42 0.36 4
  43 18.8 188
  51 3.3 33
  52 2.7 27
  53 1.88 19
  54 4.2 42
  55 37.5 375
  56 2 20
  57 0.38 4
  65 9.2 92
  66 5 50
  67 29.2 292
  68 0.63 6
  69 6.6 66
  71 1.7 17
  77 20.5 205
  78 0.5 5
  79 30 300
  80 6.3 63
  81 26.6 266
  82 0.67 7
  83 5.3 53
  84 0.6 6
  85 1.3 13
  91 2.81 28
  92 5.9 59
  93 26.7 267
  94 7.5 75
  95 2.11 21
  96 5.5 55
  97 15.3 153
  98 3.1 31
  103 0.27 3
  104 1.3 13
  105 18.8 188
  106 5.9 59
  107 2.08 21
  108 15.6 156
  109 24.2 242
  110 21.4 214
  111 0.93 9
  112 3.1 31
  113 0.6 6
  114 1.3 13
  115 0.45 5
  116 1.6 16
  117 6.1 61
  118 2.3 23
  119 0.97 10
  120 4.4 44
  121 12.7 127
  122 6.4 64
  123 1.64 16
  124 7.8 78
  125 3 30
  127 0.8 8
  128 0.34 3
  129 4.7 47
  130 1.6 16
  131 10.8 108
  132 0.47 5
  133 7.8 78
  134 5.9 59
  135 9.4 94
  136 1.53 15
  137 8 80
  138 13 130
  139 19.2 192
  140 0.84 8
  141 2.3 23
  142 1.4 14
  143 5.8 58
  144 0.33 3
  145 9.2 92
  146 4.7 47
  147 14.1 141
  148 0.61 6
  149 18.9 189
  150 12.8 128
  151 3.8 38
  152 2.27 23
  153 5.9 59
  154 0.6 6
  155 1.6 16
  156 0.06 1
  157 5 50
  158 2.8 28
  159 5.5 55
  160 0.44 4
  161 5.6 56
  162 3.1 31
  163 4.1 41
  164 0.23 2
  165 1.7 17
  166 1.3 13
  167 1.4 14
  168 0.14 1
  169 2 20
  170 1.4 14
  171 6.3 63
  172 0.28 3
  173 6.3 63
  174 2.5 25
  175 5 50
  176 0.19 2
  177 2.8 28
  178 1.6 16
  179 1.3 13
  180 0.05 1
  181 1.6 16
  182 0.6 6
  183 2.5 25
  184 0.28 3
  185 9.5 95
  186 4.7 47
  187 4.4 44
  188 0.3 3
  189 4.5 45
  190 2.3 23
  191 2.7 27
  192 0.13 1
  193 1.3 13
  194 0.3 3
  195 1.9 19
  196 0.06 1
  197 2 20
  198 4.8 48
  199 6.3 63
  200 0.16 2
  201 3.1 31
  202 2.8 28
  203 5.5 55
  204 0.28 3
  205 1.6 16
  206 1.1 11
  207 0.5 5
  208 0.03 0
  209 1.9 19
  210 1.3 13
  211 1.6 16
  213 0.5 5
  214 3.1 31
  215 2.8 28
  216 1.7 17
  217 0.25 3
  218 1.3 13
  219 1.3 13
  220 3 30
  223 0.13 1
  225 1.9 19
  226 1.4 14
  227 4.8 48
  228 0.34 3
  229 2 20
  230 1.3 13
  231 6.4 64
  232 0.64 6
  233 81.7 817
  234 13.9 139
  235 1.6 16
  237 0.03 0
  238 0.5 5
  239 0.5 5
  240 1.7 17
  241 0.41 4
  242 4.5 45
  243 2.3 23
  245 3.3 33
  246 0.55 6
  247 1.7 17
  251 1.3 13
  256 1.7 17
  258 0.17 2
  259 5.9 59
  260 1.3 13
  269 4.7 47
  273 1.55 16
  274 4.7 47
  284 6.3 63
  285 1.6 16
  286 0.06 1
  287 25.9 259
  288 4.7 47
  300 1.4 14
  301 0.05 1
  302 99.99 999
  303 24.7 247
  304 4.2 42
//