ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011411
RECORD_TITLE: 5-ALPHA-ANDROSTAN-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$NAME: 5-ALPHA-ANDROSTAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O
CH$EXACT_MASS: 274.22967
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(CC2)C1
CH$IUPAC: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY VMNRNUNYBVFVQI-QYXZOKGRSA-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0uk9-2690000000-c18334705c70a5aae861
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  43 1.12 11
  55 2.78 28
  57 2.34 23
  67 3.82 38
  68 3.37 34
  69 3.01 30
  79 2.14 21
  80 1.79 18
  81 10.85 109
  82 3.66 37
  83 3.47 35
  91 1.27 13
  92 1.09 11
  93 6.3 63
  94 4.18 42
  95 19.39 194
  96 4.29 43
  97 3.08 31
  98 1.12 11
  105 2.95 30
  106 6.09 61
  107 15.31 153
  108 6.52 65
  109 11.9 119
  110 3.35 34
  111 4.69 47
  118 1.27 13
  119 3.78 38
  120 3.52 35
  121 11.37 114
  122 4.23 42
  123 9.09 91
  124 8.76 88
  125 1.99 20
  131 2.08 21
  132 1.1 11
  133 4.34 43
  134 2.15 22
  135 8.13 81
  136 2.7 27
  137 3.96 40
  145 2.84 28
  146 1.87 19
  147 4.77 48
  148 2.83 28
  149 8.44 84
  150 2.4 24
  151 3.3 33
  159 2.79 28
  160 1.64 16
  161 4.75 48
  162 3.15 32
  163 7.78 78
  164 2.04 20
  165 1.2 12
  173 2.63 26
  174 1.6 16
  175 3.57 36
  176 2.88 29
  177 2.43 24
  179 1.36 14
  185 1.48 15
  187 13.05 131
  188 2.72 27
  189 6.39 64
  190 1.95 20
  199 1.14 11
  200 1.55 16
  201 5.12 51
  202 99.99 999
  204 15.8 158
  205 1.9 19
  213 1.9 19
  214 1.79 18
  216 2.44 24
  217 7.53 75
  218 1.97 20
  219 4.81 48
  227 1.05 11
  230 17.8 178
  232 8 80
  233 1.27 13
  241 8.6 86
  242 1.61 16
  245 2.07 21
  246 3.99 40
  247 1 10
  256 2.3 23
  259 17.69 177
  260 3.46 35
  274 60.42 604
  275 12.12 121
  276 1.4 14
//