ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004644
RECORD_TITLE: 5-ALPHA-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$NAME: 5-ALPHA-ANDROSTANE
CH$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+/m1/s1
CH$LINK: CAS 438-22-2
CH$LINK: INCHIKEY QZLYKIGBANMMBK-UGCZWRCOSA-N
CH$LINK: COMPTOX DTXSID2036532

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$SPLASH: splash10-01ot-8790000000-e6fbfbcebbadbdf83a0d
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  27 2.24 22
  28 1.12 11
  29 6.35 64
  39 4.78 48
  40 1.19 12
  41 24.26 243
  42 2.09 21
  43 5.37 54
  53 7.46 75
  54 3.28 33
  55 28.37 284
  56 2.24 22
  57 2.24 22
  65 3.66 37
  66 2.24 22
  67 35.46 355
  68 8.21 82
  69 10.08 101
  77 7.09 71
  78 2.02 20
  79 20.98 210
  80 5.82 58
  81 41.95 420
  82 8.36 84
  83 7.99 80
  88 1.19 12
  91 11.2 112
  92 2.24 22
  93 19.71 197
  94 11.65 117
  95 48.89 489
  96 11.79 118
  97 3.81 38
  105 5.97 60
  106 2.46 25
  107 23.14 231
  108 13.81 138
  109 23.89 239
  110 4.85 49
  111 1.87 19
  117 1.12 11
  119 3.36 34
  120 2.09 21
  121 19.48 195
  122 7.09 71
  123 7.84 78
  124 1.12 11
  133 6.12 61
  134 3.06 31
  135 30.16 302
  136 7.46 75
  137 4.18 42
  147 6.79 68
  148 16.72 167
  149 28.14 281
  150 15.3 153
  151 5.52 55
  161 9.26 93
  162 5.9 59
  163 11.57 116
  164 5 50
  165 2.24 22
  175 7.32 73
  176 4.48 45
  177 4.11 41
  178 1.87 19
  189 13.44 134
  190 9.33 93
  191 2.09 21
  203 46.28 463
  204 29.49 295
  205 5.23 52
  217 24.19 242
  218 16.87 169
  219 2.84 28
  231 2.84 28
  232 7.46 75
  233 1.49 15
  245 86.59 866
  246 17.32 173
  247 1.57 16
  260 99.99 999
  261 20.83 208
  262 2.24 22
//