ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007246
RECORD_TITLE: 3BETA-3-HYDROXY-ANDROST-5-EN-17-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3BETA-3-HYDROXY-ANDROST-5-EN-17-ONE
CH$NAME: DEHYDROEPIANDROSTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: [H]C(O)(C4)CC(=C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
CH$LINK: CAS 53-43-0
CH$LINK: INCHIKEY FMGSKLZLMKYGDP-USOAJAOKSA-N
CH$LINK: COMPTOX DTXSID4020379

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abi-1790000000-52f5e67bc4d1fab73561
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  43 3.3 33
  53 1.9 19
  55 7.5 75
  57 0.33 3
  59 1 10
  61 1.4 14
  67 9.1 91
  69 0.42 4
  71 2.4 24
  77 1.5 15
  79 12.5 125
  80 0.37 4
  81 10.2 102
  82 1.8 18
  83 5.5 55
  85 0.17 2
  90 1 10
  91 11.1 111
  92 4.1 41
  93 1.89 19
  94 4.8 48
  95 14.2 142
  96 2.9 29
  97 1.59 16
  98 2.6 26
  99 1.5 15
  104 1.5 15
  105 1.99 20
  106 11.1 111
  107 25.3 253
  108 7.1 71
  109 0.74 7
  110 2.8 28
  111 1.7 17
  117 9.4 94
  118 0.61 6
  119 16.1 161
  120 11.6 116
  121 17.1 171
  122 0.38 4
  124 2.8 28
  125 7.8 78
  126 1.1 11
  128 0.17 2
  129 5.1 51
  130 2.6 26
  131 9.3 93
  132 0.5 5
  133 9.7 97
  134 6.5 65
  135 10.2 102
  136 0.36 4
  137 3.8 38
  138 2.3 23
  139 1 10
  141 0.24 2
  142 3.4 34
  143 12.4 124
  144 6.4 64
  145 2.05 21
  146 5.5 55
  147 9.9 99
  148 7.9 79
  149 0.82 8
  150 2.6 26
  151 4.5 45
  155 3.8 38
  156 0.23 2
  157 8.9 89
  158 2.9 29
  159 24.2 242
  160 0.74 7
  161 5.5 55
  162 3.4 34
  163 3.3 33
  164 0.14 1
  166 1.5 15
  167 1 10
  168 2.6 26
  169 0.54 5
  170 2.3 23
  171 7.5 75
  172 2.8 28
  173 0.82 8
  174 10.2 102
  175 5.1 51
  176 16.8 168
  177 2.3 23
  178 4.1 41
  179 1.4 14
  181 2.4 24
  182 0.1 1
  183 5.7 57
  184 2.7 27
  185 15.1 151
  186 0.29 3
  187 7.9 79
  188 5.2 52
  189 3.4 34
  190 0.36 4
  195 8.4 84
  196 3.4 34
  197 6.1 61
  198 0.32 3
  199 10.7 107
  200 4 40
  201 6.5 65
  202 1.02 10
  203 48.5 485
  205 2.3 23
  206 1.7 17
  209 0.36 4
  210 1.4 14
  211 5.1 51
  212 4.5 45
  213 2.35 24
  214 11.6 116
  215 8.4 84
  216 6.6 66
  217 0.51 5
  218 1.8 18
  219 1.3 13
  220 1.3 13
  221 0.14 1
  223 2.3 23
  224 1 10
  225 2.4 24
  226 0.17 2
  227 15.6 156
  228 11 110
  229 8.8 88
  230 0.63 6
  231 18.5 185
  232 3.8 38
  237 17.6 176
  238 0.38 4
  240 2.3 23
  241 10.3 103
  242 4.6 46
  243 0.96 10
  244 7.5 75
  245 2.6 26
  248 2.3 23
  249 0.1 1
  253 2.6 26
  255 75.8 758
  256 14.3 143
  260 0.61 6
  269 2.7 27
  270 53.8 538
  271 12.8 128
  273 1.05 11
  274 2.3 23
  288 99.99 999
  289 16.8 168
  290 4.1 41
//