53-03-2

潑尼松(53-03-2)質(zhì)譜(MS)

產(chǎn)品名稱:潑尼松

分子式:C21H26O5

分子量: 358.43

InChI:InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

InChIKey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N

Smiles:C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2

IR1

IR2

Mass

MS-NW-7130          
17alpha,21-dihydroxy-1,4-pregnadiene-3,11,20-trione
C21H26O5            (Mass of molecular ion:    358)

   Source Temperature: 220 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      14.0       1.9
      15.0       2.5
      17.0       4.7
      18.0      17.9
      26.0       1.4
      27.0      12.5
      28.0      11.2
      29.0      24.0
      30.0      13.1
      31.0      21.6
      32.0       4.0
      38.0       1.1
      39.0      19.9
      40.0       5.0
      41.0      35.7
      42.0       9.7
      43.0      29.9
      44.0       1.9
      45.0       1.9
      50.0       2.5
      51.0       9.4
      52.0       5.0
      53.0      18.6
      54.0       2.9
      55.0      21.5
      56.0       1.9
      57.0       4.3
      58.0       1.9
      60.0       7.8
      62.0       1.4
      63.0       5.6
      64.0       2.9
      65.0      15.2
      66.0       5.0
      67.0      16.5
      68.0       6.4
      69.0      12.2
      70.0       2.1
      71.0       4.4
      73.0       1.3
      74.0       1.2
      75.0       2.0
      76.0       2.9
      77.0      30.2
      78.0       9.4
      79.0      23.2
      80.0       4.7
      81.0      13.3
      82.0       3.7
      83.0       4.5
      84.0       1.9
      85.0       2.5
      86.0       1.7
      87.0       2.0
      88.0       1.4
      89.0       4.4
      90.0       2.3
      91.0      56.7
      92.0      13.3
      93.0      20.7
      94.0       5.9
      94.5       1.4
      95.0      13.8
      96.0       4.3
      97.0      11.3
      98.0       2.5
      99.0       2.6
     100.0       1.4
     101.0       2.8
     102.0       3.0
     103.0       8.6
     104.0       4.3
     105.0      18.6
     106.0       5.7
     106.5       1.2
     107.0      17.4
     107.5       1.1
     108.0       8.4
     109.0       8.5
     110.0       6.0
     111.0       6.3
     112.0       1.6
     113.0       2.5
     114.0       2.0
     115.0      22.7
     116.0      10.9
     117.0      21.5
     118.0       4.7
     119.0       9.1
     120.0       7.8
     121.0     100.0
     122.0      24.8
     123.0       8.6
     124.0       2.6
     125.0       2.8
     126.0       2.1
     127.0       7.2
     128.0      13.5
     129.0      13.2
     130.0       5.6
     131.0      29.8
     132.0      14.0
     133.0      17.3
     134.0      22.8
     135.0      22.0
     136.0       5.1
     137.0       3.7
     138.0       2.0
     139.0      11.4
     140.0       2.2
     141.0       9.6
     142.0       4.9
     143.0       7.8
     144.0       7.1
     145.0      25.2
     146.0      14.8
     147.0      51.2
     148.0       9.3
     149.0       4.5
     150.0       2.0
     151.0       2.7
     152.0       5.2
     153.0       4.8
     154.0       2.1
     155.0       4.5
     156.0       3.5
     157.0       9.0
     158.0      14.4
     159.0      39.9
     160.0      49.1
     161.0      29.0
     162.0       4.8
     163.0       4.5
     164.0       1.8
     165.0       5.6
     166.0       2.3
     167.0       2.5
     168.0       2.6
     169.0       5.1
     170.0       3.6
     171.0      15.9
     172.0       8.2
     173.0      13.9
     174.0       5.1
     175.0       4.0
     176.0       2.8
     177.0       4.0
     178.0       3.0
     179.0       3.4
     180.0       1.6
     181.0       4.0
     182.0       3.0
     183.0       5.6
     184.0      11.1
     185.0      15.3
     186.0      18.2
     187.0      22.0
     188.0       6.6
     189.0       9.5
     190.0       2.5
     191.0       3.2
     192.0       1.5
     193.0       2.1
     194.0       2.3
     195.0       4.7
     196.0       3.3
     197.0       6.9
     198.0       5.0
     199.0      14.3
     200.0       6.7
     201.0       5.4
     202.0       6.6
     203.0       3.4
     204.0       1.5
     205.0       2.7
     206.0       3.1
     207.0       3.0
     208.0       4.0
     209.0       6.7
     210.0       5.1
     211.0       9.6
     212.0       6.5
     213.0      11.5
     214.0       5.0
     215.0       4.1
     216.0       1.8
     217.0       1.3
     218.0       1.3
     219.0       5.8
     220.0       2.6
     221.0       7.1
     222.0       6.7
     223.0      31.3
     224.0       9.7
     225.0       8.9
     226.0      10.3
     227.0      10.6
     228.0       6.8
     229.0       4.4
     230.0       2.2
     231.0       2.3
     232.0       2.2
     233.0       2.1
     234.0       2.0
     235.0       3.8
     236.0       5.6
     237.0      12.1
     238.0      12.8
     239.0      14.3
     240.0       6.8
     241.0      13.8
     242.0       7.4
     243.0       3.1
     244.0       2.8
     245.0       2.9
     246.0       2.7
     247.0       5.1
     248.0       2.7
     249.0       3.9
     250.0       2.2
     251.0       3.6
     252.0       3.9
     253.0      10.1
     254.0      16.3
     255.0      38.5
     256.0      17.4
     257.0       5.6
     258.0       2.4
     259.0       2.5
     260.0       3.6
     261.0       3.1
     262.0       9.1
     263.0       7.4
     264.0       4.3
     265.0       6.5
     266.0       3.3
     267.0       3.6
     268.0       1.8
     269.0       3.6
     270.0       7.3
     271.0       3.6
     272.0       2.5
     273.0       1.3
     274.0       2.9
     275.0       1.3
     276.0       1.2
     277.0       1.6
     278.0       1.1
     279.0       2.4
     280.0       7.5
     281.0      10.5
     282.0       4.6
     283.0       5.0
     284.0       2.8
     285.0       2.1
     286.0       1.1
     291.0       1.0
     292.0       3.1
     293.0       2.1
     294.0       1.4
     295.0       1.9
     296.0       1.0
     297.0       2.2
     298.0      30.4
     299.0      32.2
     300.0      11.5
     301.0       2.6
     309.0       2.7
     310.0       5.2
     311.0      12.7
     312.0       4.8
     313.0       3.6
     314.0       1.2
     322.0       1.1
     325.0       1.1
     326.0       5.0
     327.0       1.6
     328.0      31.7
     329.0       8.6
     330.0       2.9
     340.0       5.9
     341.0       1.6
     342.0       1.8
     343.0       1.0
     358.0      27.0
     359.0       7.0
     360.0       1.5

KBr disc