ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009703
RECORD_TITLE: 11-KETOANDROSTERONE; 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$NAME: 11-KETOANDROSTERONE
CH$NAME: 3ALPHA-HYDROXY-5BETA-ANDROSTANE-11,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₃
CH$EXACT_MASS: 304.20384
CH$SMILES: [H]C(O)(C4)CC([H])(C3)C(C)(C4)C([H])(C(=O)1)C([H])(C3)C([H])(C2)C(C)(C(=O)C2)C1
CH$IUPAC: InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
CH$LINK: INCHIKEY IUNYGQONJQTULL-UKZLPJRTSA-N

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$SPLASH: splash10-0zfr-1922000000-53a646d987218b34c941
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  55 1.07 11
  67 2.36 24
  68 1.09 11
  69 2.86 29
  79 2.78 28
  80 1.21 12
  81 4.57 46
  82 3.31 33
  83 2.73 27
  84 1.23 12
  91 3.04 30
  92 1.73 17
  93 8.04 80
  94 6.72 67
  95 6.47 65
  96 3.61 36
  97 3.76 38
  98 1.79 18
  104 1.92 19
  105 8.56 86
  106 8.04 80
  107 15.92 159
  108 21.47 215
  109 17.8 178
  110 13.28 133
  111 9.89 99
  112 1.37 14
  117 1.03 10
  118 8.87 89
  119 9.86 99
  120 6.22 62
  121 13.22 132
  122 11.28 113
  123 5.61 56
  124 15.06 151
  125 3.15 32
  129 1.34 13
  130 1.17 12
  131 3.75 38
  132 3.46 35
  136 2.39 24
  137 4.96 50
  138 2.98 30
  139 3.09 31
  140 1.42 14
  143 1.16 12
  144 1.94 19
  145 9.55 96
  146 4.26 43
  147 35.12 351
  148 9.22 92
  149 7.81 78
  150 21.41 214
  151 4.13 41
  152 1.76 18
  156 1.07 11
  157 1.78 18
  158 1.67 17
  159 3.11 31
  160 3.92 39
  161 4.06 41
  162 3.37 34
  163 14 140
  164 5.19 52
  165 16.86 169
  166 2.92 29
  167 1.04 10
  171 1.55 16
  172 5.7 57
  173 7.25 73
  174 4.22 42
  175 4.84 48
  176 5.87 59
  177 1.88 19
  178 26.39 264
  179 4.35 44
  180 2.33 23
  181 1.05 11
  185 1.21 12
  186 1.12 11
  187 4.06 41
  188 1.87 19
  189 1.68 17
  190 2.41 24
  191 27.71 277
  192 4.54 45
  193 22.69 227
  194 3.58 36
  195 1.08 11
  197 1.67 17
  199 2.64 26
  200 1.3 13
  201 2.16 22
  202 2.51 25
  203 1.43 14
  204 1.32 13
  205 3.46 35
  206 1.21 12
  211 1.71 17
  212 2.21 22
  213 1.52 15
  214 1.14 11
  215 2.49 25
  216 1.03 10
  217 1.38 14
  218 1.11 11
  220 2.09 21
  225 1.8 18
  226 1.57 16
  227 2.24 22
  228 1.39 14
  229 2.95 30
  230 2.07 21
  231 1.55 16
  232 4.25 43
  233 1.96 20
  240 1.72 17
  241 1.54 15
  242 3.71 37
  243 4.9 49
  244 1.94 19
  245 1.56 16
  247 1.06 11
  248 2.14 21
  253 3.04 30
  257 1.24 12
  258 2.81 28
  260 1.58 16
  261 3.24 32
  262 1 10
  268 3.66 37
  269 1.52 15
  271 11.46 115
  272 2.38 24
  276 1.15 12
  286 12.32 123
  287 2.71 27
  289 1.51 15
  304 99.99 999
  305 21.57 216
  306 2.98 30
//