ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008149
RECORD_TITLE: 17BETA-ACETOXY-1BETA-HYDROXY-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$NAME: 17BETA-ACETOXY-1BETA-HYDROXY-5ALPHA-ANDROST-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H32O3
CH$EXACT_MASS: 332.23514
CH$SMILES: CC(=O)OC(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C(O)2)C([H])(CC=C2)C1
CH$IUPAC: InChI=1S/C21H32O3/c1-13(22)24-19-10-9-16-15-8-7-14-5-4-6-18(23)21(14,3)17(15)11-12-20(16,19)2/h4,6,14-19,23H,5,7-12H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
CH$LINK: INCHIKEY DKRVGISYZLHNHZ-WKBNOSBISA-N
AC$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: splash10-0udi-4692000000-cc4712b98422a877b493
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  29 1.13 11
  39 0.92 9
  41 3.68 37
  43 17.32 173
  53 1.18 12
  55 4.61 46
  57 1.11 11
  67 3.86 39
  68 0.83 8
  69 2.34 23
  70 18.34 183
  71 1.51 15
  77 2.26 23
  79 6.02 60
  80 1.45 15
  81 10.03 100
  82 1.06 11
  83 1.1 11
  91 6.77 68
  92 2.3 23
  93 9.93 99
  94 5.08 51
  95 8.42 84
  96 1.13 11
  97 1.26 13
  105 7.85 79
  106 4.1 41
  107 12.44 124
  108 4.15 42
  109 5.81 58
  110 1.31 13
  111 1.28 13
  112 0.81 8
  117 1.8 18
  118 1.36 14
  119 4.13 41
  120 3.05 31
  121 7.85 79
  122 2.74 27
  123 2.07 21
  124 2.69 27
  129 0.93 9
  130 0.81 8
  131 6.44 64
  132 1.63 16
  133 5.56 56
  134 3.04 30
  135 3.25 33
  137 0.93 9
  143 1.07 11
  145 5.61 56
  146 4.94 49
  147 9.06 91
  148 2.57 26
  149 3.21 32
  150 1.5 15
  157 1.18 12
  158 0.81 8
  159 5.4 54
  160 3.26 33
  161 8.38 84
  162 2.02 20
  163 2.93 29
  171 0.83 8
  173 6.4 64
  174 2.92 29
  175 1.96 20
  176 1.06 11
  185 0.89 9
  187 15.69 157
  188 2.78 28
  189 1.11 11
  199 1.89 19
  200 0.92 9
  201 6.59 66
  202 29.83 298
  203 99.99 999
  204 16.37 164
  205 1.7 17
  213 1 10
  219 1.22 12
  220 1.12 11
  221 6.48 65
  222 1.13 11
  239 1.61 16
  254 2.06 21
  255 1.5 15
  257 3.21 32
  259 0.85 9
  260 0.8 8
  261 2.46 25
  262 24.97 250
  263 11.88 119
  264 1.93 19
  272 5.24 52
  273 1.34 13
  314 2.62 26
  315 1.07 11
  330 0.98 10
  332 42.81 428
  333 10 100
  334 1.37 14
//
