521-10-8

美雄醇(521-10-8)质谱(MS)

分子式:C20H32O2

分子量: 304.47

InChI:InChI=1/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/s3

InChIKey: WRWBCPJQPDHXTJ-DYKSATAUNA-N

Smiles:[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C |&1:0,6,10,12,16,18,21,r|

Mass

MS-NW-2612          
17alpha-methyl-5-androstene-3beta,17beta-diol
C20H32O2            (Mass of molecular ion:    304)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       3.0
      18.0      14.1
      27.0       6.1
      28.0       2.7
      29.0      10.3
      31.0       1.9
      39.0       8.3
      40.0       1.7
      41.0      29.1
      42.0       1.6
      43.0      51.0
      44.0       1.8
      45.0       2.4
      51.0       2.6
      52.0       1.3
      53.0      10.7
      54.0       1.5
      55.0      26.4
      56.0       1.6
      57.0       9.2
      58.0       4.4
      59.0       2.2
      63.0       1.1
      65.0       6.6
      66.0       2.4
      67.0      21.5
      68.0       3.1
      69.0       9.6
      71.0      13.2
      72.0       4.0
      77.0      17.1
      78.0       5.0
      79.0      29.9
      80.0       4.9
      81.0      29.9
      82.0       3.7
      83.0       5.8
      84.0       1.0
      85.0       5.3
      91.0      41.4
      92.0       9.9
      93.0      30.9
      94.0       8.9
      95.0      23.4
      96.0       3.2
      97.0       5.1
      98.0       1.3
      99.0       1.4
     103.0       3.8
     104.0       3.8
     105.0      44.6
     106.0      13.6
     107.0      43.6
     108.0      13.1
     109.0      14.8
     110.0       2.8
     111.0       2.7
     113.0       1.0
     115.0       6.2
     116.0       3.4
     117.0      14.2
     118.0       9.4
     119.0      34.0
     120.0      23.7
     121.0      22.3
     122.0       8.1
     123.0       7.4
     124.0       4.1
     125.0       4.7
     127.0       1.6
     128.0       5.9
     129.0       9.5
     130.0       4.8
     131.0      21.2
     132.0       8.6
     133.0      29.3
     134.0      12.5
     135.0      22.9
     136.0       4.7
     137.0       3.0
     138.0       1.9
     141.0       4.5
     142.0       3.5
     143.0      22.7
     144.0       9.4
     145.0      45.1
     146.0      12.0
     147.0      24.6
     148.0       9.0
     149.0       6.2
     150.0       2.0
     151.0       3.1
     152.0       1.2
     153.0       1.4
     154.0       1.0
     155.0       4.8
     156.0       7.1
     157.0      17.4
     158.0      22.8
     159.0      32.7
     160.0      17.5
     161.0      23.5
     162.0       7.3
     163.0       6.0
     164.0       2.2
     165.0       3.1
     166.0       1.2
     167.0       1.4
     169.0       5.8
     170.0       2.7
     171.0      16.3
     172.0       8.9
     173.0      22.2
     174.0      10.2
     175.0      19.7
     176.0       7.7
     177.0       4.2
     178.0       3.2
     179.0       2.3
     181.0       1.2
     183.0       5.7
     184.0       2.6
     185.0      11.1
     186.0      10.4
     187.0      13.9
     188.0       5.0
     189.0       4.7
     190.0       1.9
     191.0       1.9
     192.0       1.8
     193.0       4.8
     195.0       2.0
     196.0       1.0
     197.0      17.2
     198.0       5.2
     199.0      10.4
     200.0       4.9
     201.0      10.6
     202.0       3.4
     203.0       2.3
     204.0       1.4
     205.0       1.1
     211.0      14.4
     212.0       8.6
     213.0      68.8
     214.0      14.8
     215.0      26.8
     216.0       6.2
     217.0       3.1
     218.0       1.1
     219.0       2.2
     225.0       3.2
     226.0       7.8
     227.0      16.8
     228.0      30.2
     229.0      19.0
     230.0       5.0
     231.0      28.6
     232.0       6.8
     233.0       2.4
     239.0       2.7
     240.0       1.5
     241.0       1.1
     242.0       1.3
     243.0       2.4
     244.0       5.8
     245.0       5.6
     246.0      15.2
     247.0       3.6
     249.0       2.4
     251.0       3.2
     252.0       1.1
     253.0     100.0
     254.0      20.7
     255.0       3.8
     257.0       1.6
     264.0       1.1
     266.0       1.5
     267.0       1.3
     268.0      25.2
     269.0       7.2
     270.0       1.9
     271.0      38.8
     272.0       8.2
     273.0       1.1
     286.0      36.3
     287.0       7.9
     288.0       1.1
     289.0       7.1
     290.0       1.5
     302.0       1.2
     304.0      47.8
     305.0      10.5
     306.0       1.3

in CDCl3