ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009693
RECORD_TITLE: TESTSTERONE; 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$NAME: TESTSTERONE
CH$NAME: 17BETA-HYDROXYANDROST-4-EN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
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: INCHIKEY MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CH$LINK: COMPTOX DTXSID8022371

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$SPLASH: splash10-00ds-0950000000-c65fc8043083ad93d169
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  55 1.31 13
  67 1.78 18
  79 2.5 25
  81 4.22 42
  82 1.05 11
  83 1.27 13
  91 2.68 27
  93 7.29 73
  94 5.5 55
  95 7.33 73
  96 2.65 27
  97 5.01 50
  105 6.6 66
  106 3.63 36
  107 10.14 101
  108 5.15 52
  109 15.79 158
  110 6.61 66
  111 3.97 40
  117 1.25 13
  118 1.29 13
  119 5.82 58
  120 4.69 47
  121 10.25 103
  122 8.66 87
  123 15.44 154
  124 99.99 999
  125 9.86 99
  131 6.2 62
  132 3.52 35
  133 8.69 87
  134 9.44 94
  135 6.65 67
  136 5.69 57
  137 9.37 94
  138 2.84 28
  143 1.32 13
  144 2.39 24
  145 4.65 47
  146 8.95 90
  147 31.22 312
  148 11.38 114
  149 7.18 72
  150 2.87 29
  151 4.35 44
  152 1.36 14
  157 1.7 17
  158 1.48 15
  159 4.9 49
  160 2.75 28
  161 3.84 38
  162 3.83 38
  163 2.78 28
  164 7.3 73
  165 11.69 117
  166 2.19 22
  171 1.7 17
  172 1.29 13
  173 2.65 27
  174 4.32 43
  175 2.75 28
  176 2.32 23
  177 1.76 18
  185 5.46 55
  186 1.99 20
  187 5.38 54
  188 2.35 24
  189 2.9 29
  190 2.64 26
  199 1.93 19
  200 1.73 17
  201 2.85 29
  202 3.66 37
  203 24.61 246
  204 7.27 73
  205 1.11 11
  211 2.8 28
  213 5.77 58
  215 1.24 12
  216 1.55 16
  217 1.81 18
  218 1.39 14
  226 1.32 13
  227 2.46 25
  228 16.17 162
  229 7.1 71
  230 1.49 15
  231 5.7 57
  232 1.79 18
  244 2.35 24
  245 3.61 36
  246 57.66 577
  247 10.99 110
  248 1.08 11
  255 3.14 31
  260 2.68 27
  270 5.47 55
  271 1.51 15
  273 5.8 58
  274 1.3 13
  288 65.45 655
  289 14.87 149
  290 1.94 19
//