ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008152
RECORD_TITLE: 1ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROST-2-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 1ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROST-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: [H]C(C4)=C([H])C([H])(O)C(C)(C([H])43)C([H])(C2)C([H])(CC3)C([H])(C1)C(C)(C2)C([H])(O)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-18-11-10-15-13(14(18)8-9-16(18)20)7-6-12-4-3-5-17(21)19(12,15)2/h3,5,12-17,20-21H,4,6-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18+,19+/m1/s1
CH$LINK: INCHIKEY RUUMDVOLWARSAZ-VXZRPZIYSA-N
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3590000000-a66f8cf669b520b59577
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  27 0.98 10
  29 2.35 24
  40 1.45 15
  42 5.77 58
  43 1.88 19
  44 4.48 45
  53 1.93 19
  55 5.3 53
  56 1.95 20
  57 5.23 52
  65 1.01 10
  67 4.8 48
  68 1.29 13
  69 2.87 29
  70 22.43 224
  71 2.23 22
  77 3.29 33
  78 0.97 10
  79 7.26 73
  80 1.61 16
  81 10.09 101
  82 1.22 12
  83 1.35 14
  86 0.91 9
  91 7.76 78
  92 2.74 27
  93 9.89 99
  94 4.08 41
  95 8.12 81
  96 1.56 16
  97 3.27 33
  98 1.13 11
  105 9.91 99
  106 5.68 57
  107 10.71 107
  108 5.21 52
  109 6.48 65
  110 2.17 22
  111 1.5 15
  117 2.07 21
  118 1.6 16
  119 4.74 47
  120 2.84 28
  121 6.7 67
  122 2.37 24
  123 2.97 30
  124 3.74 37
  129 1.13 11
  131 5 50
  132 1.32 13
  133 4.77 48
  134 2.75 28
  135 3.48 35
  136 1.18 12
  137 1.13 11
  143 1.47 15
  144 0.83 8
  145 4.84 48
  146 2.33 23
  147 9.69 97
  148 3.29 33
  149 5.62 56
  150 1.48 15
  151 1.49 15
  157 1.43 14
  158 0.91 9
  159 3.44 34
  160 2.57 26
  161 16.23 162
  162 3.57 36
  163 4.52 45
  164 2.42 24
  165 1.04 10
  168 1.18 12
  171 0.96 10
  173 5.74 57
  174 2.07 21
  175 2.14 21
  176 21.06 211
  177 5.31 53
  178 1.68 17
  185 0.94 9
  187 11.56 116
  188 2.08 21
  189 1.1 11
  191 3.31 33
  192 1.01 10
  199 2.28 23
  200 0.92 9
  201 4.73 47
  202 27.62 276
  203 56.44 564
  204 9.32 93
  205 4.67 47
  206 0.89 9
  213 2.68 27
  214 1 10
  215 1.61 16
  217 1.73 17
  218 1.87 19
  219 9.55 96
  220 51.42 514
  221 99.99 999
  222 16.09 161
  223 1.44 14
  231 1.56 16
  239 1.72 17
  244 1.28 13
  246 1.84 18
  254 1.15 12
  255 1.65 17
  257 4.67 47
  258 1.19 12
  272 13.19 132
  273 8.24 82
  274 1.98 20
  275 1.21 12
  290 42.07 421
  291 8.95 90
  292 1.13 11
//
