474-25-9

鵝去氧膽酸(474-25-9)質(zhì)譜(MS)

分子式:C24H40O4

分子量: 392.57

InChI:InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18+,19+,20-,22+,23+,24-/s3

InChIKey: RUDATBOHQWOJDD-OLHLKPATNA-N

Smiles:C1[C@@]2(C)C(C[C@H]([C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@H]2[C@H](C)CCC(O)=O)O)C[C@H](O)C1 |&1:1,5,6,8,12,14,18,19,28,r|

Mass

MS-NW-2328          
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
C24H40O4            (Mass of molecular ion:    392)

   Source Temperature: 260 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.3
      17.0       8.7
      18.0      43.6
      26.0       1.8
      27.0      13.9
      28.0       7.3
      29.0      31.1
      30.0       1.1
      31.0       4.6
      39.0      13.8
      40.0       3.1
      41.0      73.5
      42.0       5.9
      43.0      27.9
      44.0       3.0
      45.0       5.2
      51.0       2.6
      52.0       1.5
      53.0      19.1
      54.0       5.3
      55.0     100.0
      56.0       7.7
      57.0      15.7
      58.0       1.7
      59.0       9.2
      60.0       9.1
      61.0       1.2
      65.0       8.0
      66.0       4.1
      67.0      61.0
      68.0      15.5
      69.0      39.3
      70.0       8.6
      71.0       7.7
      72.0       1.2
      73.0       5.9
      74.0       1.4
      77.0      23.2
      78.0       6.1
      79.0      52.7
      80.0      11.8
      81.0      83.8
      82.0      13.9
      83.0      24.3
      84.0       5.7
      85.0      15.3
      86.0       1.4
      87.0       1.6
      89.0       1.0
      91.0      49.2
      92.0      12.8
      93.0      70.5
      94.0      41.2
      95.0      73.8
      96.0      15.2
      97.0      13.2
      98.0       5.1
      99.0       5.7
     100.0       1.1
     101.0       7.7
     102.0       1.7
     103.0       5.9
     104.0       3.9
     105.0      61.8
     106.0      31.4
     107.0      60.5
     108.0      33.4
     109.0      48.3
     110.0       9.6
     111.0       8.9
     112.0       2.5
     113.0       1.6
     114.0       2.1
     115.0       7.4
     116.0       3.4
     117.0      16.0
     118.0      16.6
     119.0      50.2
     120.0      37.8
     121.0      47.4
     122.0      32.1
     123.0      19.8
     124.0       5.9
     125.0       7.2
     126.0       2.1
     127.0       6.9
     128.0       6.0
     129.0      11.0
     130.0       4.9
     131.0      34.3
     132.0      20.7
     133.0      46.1
     134.0      23.8
     135.0      31.6
     136.0       9.9
     137.0      11.4
     138.0      10.7
     139.0       8.8
     140.0      20.2
     141.0      15.1
     142.0       5.1
     143.0      17.5
     144.0       8.2
     145.0      49.9
     146.0      24.2
     147.0      47.7
     148.0      32.8
     149.0      17.1
     150.0       5.4
     151.0       4.9
     152.0       6.2
     153.0       4.4
     154.0       2.2
     155.0       8.1
     156.0       3.7
     157.0      24.2
     158.0      15.4
     159.0      40.0
     160.0      22.2
     161.0      30.4
     162.0      25.3
     163.0      11.1
     164.0       3.6
     165.0       5.0
     166.0       1.8
     167.0       2.9
     168.0       1.4
     169.0       5.4
     170.0       2.5
     171.0      19.2
     172.0      11.5
     173.0      27.4
     174.0      21.6
     175.0      13.4
     176.0       5.0
     177.0       5.7
     178.0       4.4
     179.0       3.9
     180.0       1.8
     181.0       6.5
     182.0       2.2
     183.0       4.7
     184.0       2.3
     185.0      17.3
     186.0       8.5
     187.0      14.2
     188.0       5.2
     189.0       7.0
     190.0       2.2
     191.0       3.2
     192.0       3.9
     193.0       4.6
     194.0      11.6
     195.0       8.1
     196.0       2.5
     197.0       6.8
     198.0       3.2
     199.0      19.1
     200.0      13.8
     201.0      37.1
     202.0      13.5
     203.0       6.5
     204.0       2.5
     205.0       2.8
     206.0       1.5
     207.0       4.9
     208.0       2.9
     209.0       3.2
     210.0       1.7
     211.0       6.0
     212.0       3.9
     213.0      67.5
     214.0      18.5
     215.0      20.6
     216.0       9.7
     217.0       9.6
     218.0       3.2
     219.0       3.5
     220.0       2.0
     221.0       2.8
     222.0       1.8
     223.0       2.1
     224.0       1.3
     225.0       3.1
     226.0       2.7
     227.0       9.9
     228.0      68.8
     229.0      37.0
     230.0       7.5
     231.0      14.6
     232.0       5.2
     233.0       5.1
     234.0      11.3
     235.0      13.4
     236.0       7.6
     237.0       3.5
     238.0       2.9
     239.0       4.2
     240.0       2.6
     241.0       6.3
     242.0       3.9
     243.0       2.2
     244.0       1.8
     245.0       2.9
     246.0      34.5
     247.0      11.2
     248.0      13.3
     249.0       9.0
     250.0       5.3
     251.0       4.0
     252.0       1.8
     253.0       7.8
     254.0       4.0
     255.0      42.4
     256.0      10.9
     257.0       2.6
     258.0       1.0
     259.0       1.8
     260.0       6.8
     261.0       6.2
     262.0       9.9
     263.0       4.1
     264.0      27.7
     265.0       7.5
     266.0       2.4
     267.0       3.5
     268.0       1.6
     269.0       1.9
     271.0       2.0
     273.0       7.6
     274.0       5.7
     275.0       2.4
     276.0       3.6
     277.0       1.6
     278.0       2.0
     279.0       1.3
     280.0       3.4
     281.0       2.7
     282.0       2.8
     283.0       4.1
     284.0       3.2
     285.0       2.5
     286.0       1.1
     287.0       3.1
     288.0       1.9
     289.0       2.4
     290.0       6.2
     291.0       1.7
     295.0       3.0
     296.0       1.5
     297.0       1.7
     299.0       3.2
     300.0       3.6
     301.0       7.0
     302.0      18.4
     303.0       4.6
     304.0       1.3
     305.0       1.7
     310.0       3.0
     311.0       1.0
     313.0       2.0
     314.0       2.3
     315.0       3.7
     316.0       1.8
     317.0       1.1
     318.0       1.0
     320.0       1.7
     321.0       1.1
     323.0       3.5
     324.0       1.1
     327.0       1.3
     328.0       1.6
     336.0       1.0
     338.0       4.8
     339.0       3.2
     340.0       1.7
     341.0      40.6
     342.0      10.6
     343.0       2.1
     354.0       1.8
     355.0       1.6
     356.0      80.1
     357.0      21.5
     358.0       4.0
     359.0       7.8
     360.0       2.1
     372.0       1.2
     374.0      18.6
     375.0       5.1
     392.0       4.5
     393.0       1.3