ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011417
RECORD_TITLE: 5 BETA-ANDROSTANE-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$NAME: 5 BETA-ANDROSTANE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
CH$LINK: INCHIKEY RAJWOBJTTGJROA-QJISAEMRSA-N
CH$LINK: COMPTOX DTXSID10153778

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$SPLASH: splash10-0079-2960000000-ea444704310ecd83d3ce
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  41 1.05 11
  43 2.07 21
  55 5.9 59
  57 1.63 16
  67 7.78 78
  68 5.4 54
  69 3.43 34
  71 1.29 13
  79 4.96 50
  80 2.01 20
  81 11.72 117
  82 5.32 53
  83 2.86 29
  91 2.86 29
  92 1.17 12
  93 11.36 114
  94 4.35 44
  95 10.92 109
  96 2.83 28
  97 14.24 142
  98 1.66 17
  105 9.71 97
  106 6.15 62
  107 12.49 125
  108 13.75 138
  109 17.02 170
  110 13.79 138
  111 5.97 60
  117 1.15 12
  118 3.91 39
  119 7.92 79
  120 7.25 73
  121 14.82 148
  122 23.59 236
  123 10.85 109
  124 18.71 187
  125 2.99 30
  131 3.97 40
  132 4.42 44
  133 7.14 71
  134 6.22 62
  135 6.68 67
  136 4.07 41
  137 4.88 49
  138 1.09 11
  143 2.3 23
  144 1.9 19
  145 6.28 63
  146 3.89 39
  147 10.66 107
  148 4.03 40
  149 5.7 57
  150 1.91 19
  151 2.79 28
  157 3.76 38
  158 7.86 79
  159 8.52 85
  160 10.63 106
  161 15.14 151
  162 22.64 226
  163 6.26 63
  164 2.92 29
  165 4.12 41
  171 3.61 36
  172 8.45 85
  173 7.89 79
  174 21.53 215
  175 15.09 151
  176 7.74 77
  177 2.93 29
  178 1.38 14
  179 1.7 17
  183 1.45 15
  185 2.54 25
  186 2.42 24
  187 8.21 82
  188 3.34 33
  189 4.46 45
  190 3.61 36
  191 1.83 18
  192 3.07 31
  197 2.04 20
  198 3.14 31
  199 20.88 209
  200 11.03 110
  201 4.38 44
  202 1.52 15
  203 2.36 24
  204 1.32 13
  211 5.78 58
  212 3.37 34
  213 7.57 76
  214 4.91 49
  215 3.07 31
  216 5.89 59
  217 20.44 204
  218 13.88 139
  219 2.52 25
  226 1.44 14
  227 1.86 19
  228 1.3 13
  229 13.1 131
  230 4.9 49
  231 8.18 82
  232 6.87 69
  233 1.75 18
  237 4.58 46
  238 1 10
  244 37.49 375
  245 9.01 90
  246 3.89 39
  273 11.17 112
  274 2.26 23
  288 99.99 999
  289 21.04 210
  290 2.62 26
//