50-23-7

氫化可的松(50-23-7)質(zhì)譜(MS)

分子式:C21H30O5

分子量: 362.47

InChI:InChI=1/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/s3

InChIKey: JYGXADMDTFJGBT-QXTQSSHNNA-N

Smiles:C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)CO)C |&1:1,3,5,7,16,18,22,r|

Mass

MS-NW-2367          
hydrocortisone
C21H30O5            (Mass of molecular ion:    362)

   Source Temperature: 240 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      14.0       3.6
      15.0       3.7
      17.0       7.8
      18.0      35.3
      26.0       2.0
      27.0      20.3
      28.0      25.3
      29.0      57.3
      30.0      39.7
      31.0      32.3
      32.0       7.9
      39.0      26.1
      40.0       5.6
      41.0      65.4
      42.0      13.2
      43.0      46.7
      44.0       3.6
      45.0       4.8
      50.0       1.1
      51.0       7.5
      52.0       4.7
      53.0      27.9
      54.0       3.9
      55.0      46.1
      56.0       4.0
      57.0      12.8
      58.0       2.2
      60.0      15.5
      63.0       3.2
      64.0       1.9
      65.0      15.9
      66.0       6.6
      67.0      33.2
      68.0       6.2
      69.0      16.8
      70.0       4.0
      71.0       8.6
      72.0       1.8
      73.0       3.2
      74.0       1.0
      75.0       1.0
      76.0       1.2
      77.0      40.4
      78.0      10.9
      79.0      49.5
      80.0      10.0
      81.0      27.8
      82.0       5.9
      83.0      13.7
      84.0       3.8
      85.0       5.1
      86.0       2.9
      87.0       2.0
      89.0       2.0
      90.0       1.3
      91.0      59.7
      92.0      12.0
      92.5       1.5
      93.0      36.3
      94.0      14.0
      95.0      32.2
      96.0      10.4
      97.0      29.5
      98.0       3.9
      99.0       6.2
     100.0       2.2
     101.0       1.5
     102.0       1.6
     103.0       7.4
     104.0       5.3
     105.0      48.8
     106.0      16.4
     106.5       1.1
     107.0      36.0
     108.0      15.2
     109.0      38.4
     110.0      16.4
     111.0      11.2
     112.0       2.4
     113.0       2.1
     114.0       1.2
     115.0      10.9
     116.0       5.2
     117.0      17.4
     118.0       9.9
     119.0      47.5
     120.0      19.1
     121.0      46.5
     122.0      43.2
     123.0     100.0
     124.0      74.2
     125.0      16.4
     126.0       3.7
     127.0       4.6
     128.0       9.1
     129.0      14.8
     130.0       7.2
     131.0      26.3
     132.0      11.1
     133.0      26.7
     134.0      17.4
     135.0      22.9
     136.0      24.1
     137.0      39.1
     138.0      11.3
     139.0       4.2
     140.0       1.7
     141.0       7.2
     142.0       6.7
     143.0      20.2
     144.0      13.3
     145.0      29.4
     146.0      13.1
     147.0      31.3
     148.0      21.6
     149.0      20.6
     150.0       7.5
     151.0       4.4
     152.0       3.5
     153.0       3.2
     154.0       2.1
     155.0       8.2
     156.0       5.2
     157.0      15.4
     158.0       9.0
     159.0      20.4
     160.0      15.3
     161.0      29.2
     162.0      17.5
     163.0      90.7
     164.0      17.6
     165.0       6.3
     166.0       3.4
     167.0       3.6
     168.0       2.4
     169.0       7.1
     170.0       4.7
     171.0      13.7
     172.0      11.2
     173.0      22.6
     174.0      14.5
     175.0      17.9
     176.0       9.2
     177.0       6.1
     178.0       4.4
     179.0       4.0
     180.0       2.4
     181.0       4.5
     182.0       3.0
     183.0       7.9
     184.0       6.3
     185.0      14.7
     186.0       9.9
     187.0      13.0
     188.0      10.5
     189.0      28.1
     190.0       8.2
     191.0       9.2
     192.0       4.5
     193.0       3.8
     194.0       1.9
     195.0       5.0
     196.0       3.0
     197.0       7.5
     198.0       6.7
     199.0      16.4
     200.0      12.0
     201.0       8.5
     202.0       6.8
     203.0       5.3
     204.0       2.9
     205.0       3.7
     206.0       2.2
     207.0       3.8
     208.0       3.4
     209.0      10.2
     210.0       3.6
     211.0       8.5
     212.0       5.7
     213.0      20.5
     214.0      11.8
     215.0       8.8
     216.0       3.9
     217.0       4.7
     218.0       2.0
     219.0       2.0
     220.0       1.2
     221.0       2.2
     222.0       2.3
     223.0       6.0
     224.0       5.2
     225.0      15.1
     226.0       6.2
     227.0      45.9
     228.0      15.2
     229.0       9.5
     230.0       3.8
     231.0       3.4
     232.0       2.6
     233.0       2.4
     234.0       1.2
     235.0       2.5
     236.0       1.5
     237.0       2.9
     238.0       2.8
     239.0       5.9
     240.0      10.5
     241.0      13.7
     242.0      36.5
     243.0      13.6
     244.0       3.8
     245.0       7.7
     246.0       3.6
     247.0       2.5
     248.0       1.5
     249.0       2.4
     250.0       1.6
     251.0       5.4
     252.0       2.3
     253.0       5.5
     254.0       3.5
     255.0       4.0
     256.0       7.4
     257.0       6.4
     258.0       7.9
     259.0       5.7
     260.0      19.4
     261.0       8.4
     262.0       2.2
     263.0       2.6
     264.0       1.1
     265.0       2.4
     266.0       4.1
     267.0       7.8
     268.0       4.9
     269.0      17.4
     270.0       7.2
     271.0       4.7
     272.0       2.6
     273.0       2.5
     274.0       5.2
     275.0       2.4
     276.0       1.1
     278.0       1.9
     279.0       1.7
     280.0       1.1
     281.0       5.9
     282.0       2.0
     283.0       3.7
     284.0      10.9
     285.0      14.0
     286.0       6.8
     287.0       3.9
     288.0       2.8
     289.0       1.1
     290.0       1.5
     295.0       1.7
     296.0       6.1
     297.0       4.4
     298.0       2.2
     299.0      12.6
     300.0       3.5
     301.0       1.4
     302.0      23.4
     303.0       7.3
     304.0       2.1
     311.0       1.9
     312.0       3.2
     313.0       3.1
     314.0      19.1
     315.0       8.0
     316.0       2.3
     326.0       1.1
     329.0       1.8
     330.0       4.0
     332.0      34.3
     333.0       7.7
     334.0       1.4
     344.0       3.6
     362.0       2.9