ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008148
RECORD_TITLE: 17BETA-ACETOXY-1ALPHA-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$NAME: 17BETA-ACETOXY-1ALPHA-HYDROXY-5ALPHA-ANDROST-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H32O3
CH$EXACT_MASS: 332.23514
CH$SMILES: CC(=O)OC([H])(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C([H])(O)2)C([H])(CC([H])=C([H])2)C1
CH$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$LINK: INCHIKEY DKRVGISYZLHNHZ-NDUYDNQLSA-N
AC$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-3491000000-d820588b04c2469b5aa1
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  29 1.29 13
  39 1.06 11
  41 4.43 44
  43 20.14 201
  53 1.33 13
  55 4.21 42
  57 0.94 9
  67 3.14 31
  69 1.85 19
  70 13.67 137
  71 0.99 10
  77 2.84 28
  79 5.88 59
  80 1.28 13
  81 7.64 76
  91 6.49 65
  92 1.89 19
  93 7.96 80
  94 3.99 40
  95 5.63 56
  105 7.32 73
  106 3.52 35
  107 8.67 87
  108 2.91 29
  109 3.63 36
  117 1.75 18
  118 1.17 12
  119 3.28 33
  120 2.15 22
  121 5.37 54
  122 1.52 15
  123 1.25 13
  124 1.92 19
  131 5.14 51
  132 1.31 13
  133 3.95 40
  134 2.04 20
  135 2.17 22
  143 1.06 11
  145 4.28 43
  146 4.24 42
  147 6.49 65
  148 1.87 19
  149 1.97 20
  150 1 10
  157 1.2 12
  159 4.17 42
  160 2.57 26
  161 5.86 59
  162 1.35 14
  163 1.75 18
  173 4.91 49
  174 2.2 22
  175 1.34 13
  187 11.66 117
  188 2.05 21
  199 1.67 17
  201 5.14 51
  202 30.38 304
  203 99.99 999
  204 16.03 160
  205 1.56 16
  220 1 10
  221 5.12 51
  239 2.12 21
  254 2.78 28
  255 3.35 34
  257 2.22 22
  260 1.21 12
  261 3.79 38
  262 40.11 401
  263 20.53 205
  264 3.26 33
  272 8.76 88
  273 1.94 19
  314 5.81 58
  315 3.19 32
  332 36.15 362
  333 8.53 85
  334 1.19 12
//
