ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002982
RECORD_TITLE: 5ALPHA-ANDROST-16-EN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5ALPHA-ANDROST-16-EN-3-ONE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-006y-9650000000-235317511425f131d1f8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39 8 80
  41 21 210
  53 10 100
  55 1.5 15
  67 17 170
  69 8 80
  77 17 170
  79 0.4 4
  80 10 100
  81 20 200
  91 23 230
  92 0.07 1
  93 30 300
  94 45 450
  95 29 290
  105 0.15 2
  107 30 300
  108 13 130
  109 7 70
  119 0.07 1
  121 7 70
  123 7 70
  124 17 170
  133 0.11 1
  135 12 120
  145 8 80
  147 35 350
  148 0.17 2
  149 36 360
  161 13 130
  239 7 70
  257 0.8 8
  258 17 170
  272 99.99 999
  273 20 200
//