ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004645
RECORD_TITLE: 5-BETA-ANDROSTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-BETA-ANDROSTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂
CH$EXACT_MASS: 260.25040
CH$SMILES: C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(CC2)C1
CH$IUPAC: InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: CAS 438-23-3
CH$LINK: INCHIKEY QZLYKIGBANMMBK-DYKIIFRCSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0002-9770000000-031d9eab9656f5d5d66e
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  27 2.6 26
  29 8.95 90
  39 6.1 61
  40 1.15 12
  41 28.19 282
  42 2.1 21
  43 5.9 59
  53 8.5 85
  54 3.75 38
  55 30.69 307
  56 2.5 25
  57 2 20
  65 3.7 37
  66 2 20
  67 37.37 374
  68 7 70
  69 10.1 101
  77 8.75 88
  78 2 20
  79 21.24 212
  80 5.65 57
  81 43.28 433
  82 6.7 67
  83 7.75 78
  91 10.75 108
  92 2.25 23
  93 20.49 205
  94 14.69 147
  95 51.61 516
  96 17.59 176
  97 4.5 45
  105 6.45 65
  106 2.6 26
  107 23.19 232
  108 15.59 156
  109 24.24 242
  110 5.15 52
  111 2.75 28
  117 1.5 15
  119 3.75 38
  120 2.5 25
  121 21.19 212
  122 8.15 82
  123 8.6 86
  124 1.5 15
  133 5.7 57
  134 3.5 35
  135 40.05 401
  136 9.75 98
  137 5.75 58
  147 6.5 65
  148 12.14 121
  149 25.79 258
  150 12.74 127
  151 6.2 62
  161 8.05 81
  162 4.5 45
  163 12.54 125
  164 7.1 71
  165 3.25 33
  175 13.64 136
  176 5.5 55
  177 3.05 31
  178 2.2 22
  189 10.1 101
  190 4.45 45
  203 40.32 403
  204 23.64 236
  205 3.85 39
  217 10.95 110
  218 8.45 85
  219 1.95 20
  231 3.5 35
  232 3.5 35
  244 1.3 13
  245 99.99 999
  246 20.64 206
  247 1.95 20
  260 81.72 817
  261 17.44 174
  262 1.55 16
//