ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011418
RECORD_TITLE: 17ALPHA-EPITESTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: Epitestosterone
CH$NAME: 17-alpha-Epitesterone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
CH$IUPAC: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
CH$LINK: COMPTOX DTXSID8022329
CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-KZYORJDKSA-N
CH$LINK: PUBCHEM CID:10204

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-006t-1940000000-716f44b32e61cf34c7b4
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  41 1.21 12
  43 3.76 38
  55 4.55 46
  57 2.59 26
  67 4.73 47
  68 1.59 16
  69 2.63 26
  71 1.87 19
  79 5.8 58
  80 1.18 12
  81 8.56 86
  82 2.4 24
  83 4.55 46
  84 1.03 10
  85 1.21 12
  91 6.64 66
  92 1.52 15
  93 12.79 128
  94 8.35 84
  95 12.29 123
  96 4.47 45
  97 10.58 106
  98 1.23 12
  104 1.86 19
  105 15.29 153
  106 5.86 59
  107 15.92 159
  108 6.89 69
  109 20.62 206
  110 11.68 117
  111 10 100
  112 1 10
  117 2.5 25
  118 1.66 17
  119 10.02 100
  120 5.73 57
  121 13.5 135
  122 15.51 155
  123 26.06 261
  124 99.99 999
  125 12.55 126
  126 1.43 14
  129 1.81 18
  131 11.61 116
  132 5.34 53
  133 12.5 125
  134 14.32 143
  135 9.42 94
  136 7.48 75
  137 12.86 129
  138 4.98 50
  139 1.12 11
  143 2.94 29
  144 8.45 85
  145 11.49 115
  146 26.95 270
  147 86.21 862
  148 23.54 235
  149 10.53 105
  150 3.33 33
  151 5.1 51
  152 1.98 20
  157 3.27 33
  158 3.78 38
  159 8.13 81
  160 5.49 55
  161 6.56 66
  162 5.6 56
  163 3.06 31
  164 11.33 113
  165 25.26 253
  166 3.92 39
  167 1.08 11
  171 3.3 33
  172 2.36 24
  173 4.47 45
  174 6.28 63
  175 3.79 38
  176 4.77 48
  177 2.61 26
  179 2.6 26
  183 1.17 12
  185 8.63 86
  186 3.85 39
  187 7.43 74
  188 3.04 30
  189 3.22 32
  190 3.93 39
  191 1.12 11
  192 1.12 11
  197 1.43 14
  199 4.27 43
  200 3.83 38
  201 3.48 35
  202 3.54 35
  203 28.36 284
  204 7.43 74
  205 1.13 11
  206 1.03 10
  211 3.67 37
  212 1.36 14
  213 12.81 128
  214 3.69 37
  215 1.89 19
  216 2.06 21
  217 2.24 22
  218 1.45 15
  226 1.99 20
  227 5.31 53
  228 46.1 461
  229 12.97 130
  230 2.08 21
  231 3.61 36
  232 1.66 17
  237 2.07 21
  241 1.13 11
  242 1.98 20
  244 2.66 27
  245 3.54 35
  246 37.47 375
  247 6.83 68
  248 1.03 10
  252 3.53 35
  253 2.04 20
  255 4.76 48
  256 1.14 11
  260 2.38 24
  270 9.81 98
  271 2.91 29
  273 5.9 59
  274 1.53 15
  287 1.55 16
  288 68.49 685
  289 15.4 154
  290 2.06 21
//