5255-17-4

3B-羥基-D5-膽烯酸(5255-17-4)質(zhì)譜(MS)

分子式:C24H38O3

分子量: 374.57

InChI:InChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/s3

InChIKey: HIAJCGFYHIANNA-ZSWKZNPUNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C |&1:1,4,6,9,15,17,21,23,r|

IR1

IR2

Mass

MS-NW-2366          
3beta-hydroxy-5-cholen-24-oic acid
C24H38O3            (Mass of molecular ion:    374)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       1.7
      17.0       5.5
      18.0      26.7
      26.0       1.7
      27.0      13.6
      28.0       7.5
      29.0      33.1
      30.0       1.3
      31.0       4.5
      39.0      14.5
      40.0       3.1
      41.0      72.0
      42.0       4.4
      43.0      23.9
      44.0       1.9
      45.0       5.3
      51.0       3.5
      52.0       1.9
      53.0      21.5
      54.0       3.9
      55.0      99.6
      56.0       6.2
      57.0      12.0
      58.0       1.2
      59.0      10.9
      60.0       8.5
      63.0       1.3
      65.0      11.4
      66.0       4.5
      67.0      58.6
      68.0       9.7
      69.0      28.8
      70.0       2.5
      71.0       5.1
      73.0       4.3
      74.0       1.2
      76.0       1.4
      77.0      30.9
      78.0       8.9
      79.0      64.4
      80.0      10.6
      81.0      84.0
      82.0      10.3
      83.0      21.3
      84.0       2.6
      85.0      11.0
      86.0       1.1
      87.0       2.6
      89.0       1.2
      91.0      72.3
      92.0      18.6
      93.0      70.9
      94.0      20.1
      95.0      72.2
      96.0       8.4
      97.0      10.8
      98.0       1.7
      99.0       5.7
     100.0       1.4
     101.0      11.9
     102.0       1.9
     103.0       6.2
     104.0       6.3
     105.0      80.3
     106.0      26.2
     107.0     100.0
     108.0      24.7
     109.0      38.8
     110.0       6.3
     111.0       6.3
     112.0       1.2
     113.0       1.4
     114.0       1.2
     115.0      11.7
     116.0       5.5
     117.0      27.1
     118.0      16.1
     119.0      56.1
     120.0      46.0
     121.0      59.7
     122.0      15.0
     123.0      19.2
     124.0      13.8
     125.0      14.7
     126.0       2.0
     127.0       9.5
     128.0      10.0
     129.0      16.8
     130.0       8.2
     131.0      41.0
     132.0      14.0
     133.0      51.2
     134.0      19.6
     135.0      44.5
     136.0      10.4
     137.0       8.7
     138.0       4.6
     139.0       2.9
     140.0       2.2
     141.0      12.3
     142.0       6.7
     143.0      38.9
     144.0      14.6
     145.0      87.4
     146.0      22.1
     147.0      52.8
     148.0      17.7
     149.0      24.6
     150.0       4.9
     151.0       5.9
     152.0       5.1
     153.0       6.4
     154.0       2.2
     155.0       6.3
     156.0       4.0
     157.0      21.0
     158.0      21.2
     159.0      52.4
     160.0      37.3
     161.0      58.4
     162.0      16.0
     163.0      17.0
     164.0       4.3
     165.0       6.2
     166.0       1.7
     167.0       4.9
     168.0       1.5
     169.0       4.9
     170.0       2.3
     171.0      18.8
     172.0       8.1
     173.0      28.5
     174.0      12.3
     175.0      15.1
     176.0       6.5
     177.0       7.9
     178.0      16.5
     179.0       7.6
     180.0       2.3
     181.0      11.8
     182.0       2.4
     183.0       4.9
     184.0       2.1
     185.0      18.2
     186.0       9.0
     187.0      16.3
     188.0       4.8
     189.0       9.8
     190.0       2.5
     191.0       3.8
     192.0       2.6
     193.0       8.7
     194.0      10.3
     195.0      17.1
     196.0       3.7
     197.0       6.9
     198.0       2.7
     199.0      20.0
     200.0       7.3
     201.0      12.2
     202.0       3.9
     203.0       5.4
     204.0       1.8
     205.0       2.3
     206.0       1.5
     207.0       6.7
     208.0       6.1
     209.0       5.0
     210.0       1.6
     211.0       4.9
     212.0       2.8
     213.0      59.1
     214.0      16.3
     215.0      12.0
     216.0       3.4
     217.0       6.6
     218.0       2.7
     219.0       3.2
     220.0       1.5
     221.0       3.9
     222.0       1.1
     223.0       2.1
     225.0       3.0
     226.0       1.8
     227.0       8.8
     228.0      18.2
     229.0      12.9
     230.0       3.8
     231.0      23.9
     232.0       6.9
     233.0       5.6
     234.0       4.8
     235.0      37.5
     236.0       8.2
     237.0       2.4
     238.0       1.0
     239.0       2.0
     240.0       1.5
     241.0       3.4
     242.0       1.4
     243.0       1.4
     244.0       1.5
     245.0       4.8
     246.0       9.0
     247.0       6.1
     248.0       9.3
     249.0      10.7
     250.0       4.4
     251.0       2.1
     253.0       7.2
     254.0       2.1
     255.0      31.5
     256.0       7.2
     257.0       1.8
     259.0       1.3
     260.0       1.0
     261.0       2.4
     262.0      14.5
     263.0      81.3
     264.0      15.9
     265.0       2.9
     267.0       1.4
     269.0       1.7
     270.0       1.0
     271.0       1.9
     273.0      14.4
     274.0       4.1
     275.0       2.9
     276.0       1.7
     281.0       1.5
     282.0       1.7
     283.0       2.0
     285.0       1.0
     287.0       2.1
     288.0       3.5
     289.0      35.0
     290.0       8.1
     291.0       1.4
     295.0       1.2
     298.0       3.2
     299.0       2.9
     300.0       1.2
     301.0       3.5
     302.0       3.7
     303.0       1.8
     304.0       1.0
     305.0       1.6
     310.0       1.5
     313.0       1.2
     314.0       6.7
     315.0       5.6
     316.0       2.4
     317.0       4.2
     318.0       1.5
     323.0       2.7
     324.0       1.0
     327.0       1.5
     328.0       1.9
     330.0       1.8
     331.0       1.3
     338.0       2.8
     339.0       1.9
     340.0       1.0
     341.0      29.2
     342.0       7.7
     343.0       1.6
     354.0       1.1
     355.0       1.2
     356.0      40.8
     357.0      11.2
     358.0       2.3
     359.0      12.1
     360.0       3.2
     370.0       1.5
     372.0       1.5
     374.0      34.1
     375.0       9.0
     376.0       1.4

KBr disc