ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011414
RECORD_TITLE: 5-ALPHA-ANDROST-16-EN-3-ONE; 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$NAME: 5-ALPHA-ANDROST-16-EN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O
CH$EXACT_MASS: 272.21402
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(C=C2)C1
CH$IUPAC: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY HFVMLYAGWXSTQI-QYXZOKGRSA-N
CH$LINK: COMPTOX DTXSID0040965

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$SPLASH: splash10-0595-4960000000-ecaf9735022cad805276
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  43 1.6 16
  55 4.22 42
  57 1.08 11
  67 5.39 54
  68 1.48 15
  69 3.28 33
  77 1.18 12
  79 19.15 192
  80 5.61 56
  81 14.52 145
  82 1.56 16
  83 2.93 29
  91 8.8 88
  92 2.36 24
  93 23.32 233
  94 64.23 642
  95 36.56 366
  96 3.49 35
  97 3.2 32
  105 9.46 95
  106 5.26 53
  107 38.36 384
  108 11.22 112
  109 8.44 84
  110 2.34 23
  111 2.88 29
  117 2.03 20
  118 1.29 13
  119 8.14 81
  120 3.36 34
  121 8.14 81
  122 6.44 64
  123 9.7 97
  124 24.75 248
  125 3.08 31
  129 1.07 11
  131 5.35 54
  132 1.66 17
  133 13.99 140
  134 4.25 43
  135 16.03 160
  136 3.47 35
  137 6.69 67
  138 1.07 11
  143 2.82 28
  144 2.98 30
  145 8.96 90
  146 5.66 57
  147 44.23 442
  148 22.57 226
  149 47.32 473
  150 6.14 61
  157 2.42 24
  158 1.7 17
  159 5.78 58
  160 2.35 24
  161 13.14 131
  162 4.33 43
  163 8.59 86
  164 1.77 18
  171 1.81 18
  172 1.2 12
  173 3.01 30
  174 1.22 12
  175 4.15 42
  176 2.14 21
  177 2.46 25
  178 1.4 14
  179 1.3 13
  183 1.83 18
  185 1.76 18
  187 5.76 58
  188 1.38 14
  189 2.4 24
  197 1.6 16
  199 6.1 61
  200 3.89 39
  201 5.19 52
  202 3.02 30
  203 1.74 17
  204 1.05 11
  213 1.16 12
  214 1.73 17
  215 5.6 56
  216 1.94 19
  217 4.33 43
  229 1.05 11
  230 1.72 17
  239 9.14 91
  240 1.69 17
  243 1.11 11
  254 1.03 10
  257 99.99 999
  258 19.53 195
  259 2.17 22
  271 1.62 16
  272 93.82 938
  273 19.24 192
  274 2.45 25
//