ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011412
RECORD_TITLE: 5-ALPHA-ANDROSTAN-17BETA-OL-3-ONE; 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$NAME: 5-ALPHA-ANDROSTAN-17BETA-OL-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C([H])(O)C1
CH$IUPAC: InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY NVKAWKQGWWIWPM-ABEVXSGRSA-N
CH$LINK: COMPTOX DTXSID9022364

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$SPLASH: splash10-001l-1790000000-60cff73adc796876d469
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
  43 2.01 20
  55 3.03 30
  57 1.99 20
  68 8.96 90
  69 3.73 37
  71 2.86 29
  79 2.66 27
  80 1.95 20
  81 10.68 107
  82 3.79 38
  83 3.6 36
  85 1.3 13
  91 1.76 18
  93 7.6 76
  94 7.64 76
  95 12.87 129
  96 2.36 24
  97 5.59 56
  105 5.51 55
  106 2.81 28
  107 11.76 118
  108 5.22 52
  109 10.51 105
  110 5.49 55
  111 5.49 55
  112 1.03 10
  118 2.9 29
  119 7.73 77
  120 4.02 40
  121 14.42 144
  122 10.55 106
  123 21.77 218
  124 18.44 184
  125 3 30
  131 2.95 30
  132 1.71 17
  133 6.42 64
  134 2.74 27
  135 7.47 75
  136 5.44 54
  137 7.6 76
  138 1.17 12
  144 1.01 10
  145 4 40
  146 2.52 25
  147 6.98 70
  148 4.04 40
  149 11.41 114
  150 2.4 24
  151 2.12 21
  157 1.81 18
  158 1.2 12
  159 5.83 58
  160 2.12 21
  161 7.86 79
  162 4.92 49
  163 23.46 235
  164 6.89 69
  165 4.31 43
  166 2.53 25
  167 5.36 54
  171 1.52 15
  172 1.14 11
  173 3.88 39
  174 3.89 39
  175 5.96 60
  176 5.95 60
  177 2.93 29
  178 1.69 17
  179 4.31 43
  185 2.23 22
  187 2.11 21
  188 1.3 13
  189 6.06 61
  190 3.69 37
  191 1.66 17
  192 1.14 11
  199 12.06 121
  200 5.1 51
  201 4.49 45
  202 1.61 16
  203 3.73 37
  204 7.73 77
  205 1.75 18
  213 4.93 49
  214 1.27 13
  215 11.06 111
  216 2.56 26
  217 9.01 90
  218 5.14 51
  219 2.23 22
  220 1.68 17
  228 1.16 12
  229 1.8 18
  230 1.79 18
  231 99.99 999
  232 22.27 223
  233 17.83 178
  234 3.64 36
  239 1.3 13
  244 1.49 15
  246 19.49 195
  247 10.47 105
  248 1.92 19
  257 9.5 95
  258 2 20
  261 1.43 14
  272 9.8 98
  273 2.14 21
  275 7.65 77
  276 1.61 16
  290 92.16 922
  291 18.84 188
  292 2.36 24
//