ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008151
RECORD_TITLE: 17BETA-ACETOXY-1BETA-HYDROXY-5ALPHA-ANDROSTANE; 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$NAME: 17BETA-ACETOXY-1BETA-HYDROXY-5ALPHA-ANDROSTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H34O3
CH$EXACT_MASS: 334.25079
CH$SMILES: CC(=O)OC(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C(O)2)C([H])(CCC2)C1
CH$IUPAC: InChI=1S/C21H34O3/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
CH$LINK: INCHIKEY GJKFQYIGKDMSEN-WKBNOSBISA-N
AC$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: splash10-066s-3973000000-77132849d7468ed173d7
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  29 1.97 20
  39 1.01 10
  41 5.23 52
  43 24.18 242
  44 1.16 12
  53 1.93 19
  55 8.66 87
  57 2.28 23
  65 1.01 10
  67 7.55 76
  68 1.6 16
  69 3.3 33
  71 1.58 16
  77 3.22 32
  78 0.94 9
  79 9.04 90
  80 2.42 24
  81 14.24 142
  82 2.06 21
  83 2.05 21
  91 7.9 79
  92 2.05 21
  93 12.91 129
  94 10.32 103
  95 11.29 113
  96 1.81 18
  97 2.8 28
  104 2.27 23
  105 12.77 128
  106 5.44 54
  107 12.91 129
  108 28.57 286
  109 9.53 95
  110 2.64 26
  111 2.64 26
  117 2.8 28
  118 2.59 26
  119 8.06 81
  120 5.84 58
  121 8.35 84
  122 6.06 61
  123 3.26 33
  124 1.67 17
  129 1.11 11
  130 1.41 14
  131 16.02 160
  132 4.64 46
  133 10.48 105
  134 7.09 71
  135 7.31 73
  136 1.97 20
  137 1.5 15
  143 1.04 10
  144 0.95 10
  145 10.11 101
  146 52.69 527
  147 19.55 196
  148 12.54 125
  149 6.2 62
  150 1.16 12
  157 1.13 11
  158 1.09 11
  159 12.4 124
  160 9.16 92
  161 10.65 107
  162 7.92 79
  163 3.79 38
  164 0.92 9
  165 1.19 12
  171 1.48 15
  173 4.41 44
  174 6.52 65
  175 5.65 57
  176 2.04 20
  177 1.41 14
  179 1.15 12
  185 3.12 31
  186 1.49 15
  187 4.05 41
  188 2.13 21
  189 1.73 17
  199 2.97 30
  200 2.07 21
  201 30.72 307
  202 7.53 75
  203 2.92 29
  206 16.65 167
  207 4.22 42
  208 1.59 16
  213 2.08 21
  214 1.32 13
  215 7.49 75
  216 2.22 22
  217 2.03 20
  219 4.25 43
  220 2.95 30
  221 2.74 27
  227 7.51 75
  228 3.36 34
  229 1.21 12
  230 1.81 18
  231 1.14 11
  233 2.79 28
  234 1.92 19
  241 13.55 136
  242 2.8 28
  245 1.23 12
  246 2.07 21
  247 0.98 10
  248 1.19 12
  255 1.9 19
  256 67.14 671
  257 27.07 271
  258 4.54 45
  259 10.31 103
  260 3.42 34
  261 6.66 67
  262 1.99 20
  273 1.96 20
  274 23.97 240
  275 8.46 85
  287 7.56 76
  288 1.72 17
  301 3.57 36
  302 0.82 8
  316 99.99 999
  317 25.35 254
  318 3.6 36
  319 0.81 8
  334 9.03 90
  335 2.31 23
//
