ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009956
RECORD_TITLE: 7-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$NAME: 7-HYDROXY-4-ANDROSTENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H26O3
CH$EXACT_MASS: 302.18819
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C(O)3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15?,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY LFWLQMQUJQUZBD-UOEDLQKQSA-N
AC$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: splash10-00di-3920000000-e798b14e62c8255c3f39
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  27 0.6 6
  29 1.7 17
  39 2.3 23
  41 0.92 9
  43 3.6 36
  44 37.8 378
  53 4.7 47
  55 1.27 13
  57 1.6 16
  65 3.1 31
  66 0.3 3
  67 0.97 10
  68 1.4 14
  69 2.7 27
  77 8 80
  78 0.22 2
  79 12.8 128
  80 2 20
  81 9.5 95
  82 0.25 3
  83 2.3 23
  85 0.9 9
  91 12.3 123
  92 0.3 3
  93 9.4 94
  94 3.4 34
  95 11.1 111
  96 0.27 3
  97 4.8 48
  105 9.8 98
  106 4.7 47
  107 0.97 10
  108 3.9 39
  109 12.5 125
  110 3.6 36
  111 0.14 1
  115 2.2 22
  116 1.3 13
  117 3.9 39
  118 0.23 2
  119 8.6 86
  120 2 20
  121 5 50
  122 1.22 12
  123 29.4 294
  124 99.99 999
  125 12 120
  128 0.23 2
  129 3 30
  130 1.3 13
  131 4.7 47
  132 0.44 4
  133 8.9 89
  134 5 50
  135 3.9 39
  136 1 10
  137 3.1 31
  141 1.6 16
  142 2.5 25
  143 0.45 5
  144 2.2 22
  145 4.7 47
  146 2.5 25
  147 0.3 3
  148 2.8 28
  149 5.8 58
  150 3 30
  151 0.33 3
  152 16.4 164
  153 2.2 22
  155 1.4 14
  157 0.31 3
  158 1.4 14
  159 4.4 44
  160 3 30
  161 0.63 6
  162 3.1 31
  163 1.6 16
  169 1.6 16
  170 0.09 1
  171 3.3 33
  172 1.6 16
  173 3 30
  174 0.44 4
  175 3 30
  179 2.7 27
  183 1.6 16
  184 0.14 1
  185 4.7 47
  186 2.8 28
  187 1.9 19
  188 0.39 4
  192 1.6 16
  195 1.3 13
  197 1.1 11
  198 0.2 2
  199 3.8 38
  200 1.6 16
  201 1.4 14
  209 0.22 2
  211 1.3 13
  212 1.4 14
  213 3.1 31
  214 0.23 2
  223 1.1 11
  224 1.3 13
  225 1.4 14
  226 0.03 0
  227 5 50
  228 3 30
  229 4.7 47
  231 0.06 1
  233 1.3 13
  240 4.8 48
  241 3 30
  242 0.91 9
  243 1.6 16
  245 1.3 13
  246 12.5 125
  247 0.2 2
  251 2.3 23
  255 1.4 14
  256 3 30
  258 0.13 1
  266 2.5 25
  267 0.3 3
  269 4.7 47
  274 0.56 6
  284 15.6 156
  285 3.4 34
  287 3.1 31
  302 5.44 54
  303 11.3 113
//
