471-53-4

甘草次酸(471-53-4)質(zhì)譜(MS)

產(chǎn)品名稱:甘草次酸

分子式:C30H46O4

分子量: 470.69

InChI:InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/s3

InChIKey: MPDGHEJMBKOTSU-QBZZSBEKNA-N

Smiles:C[C@@]12CC[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C(C=C1[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)=O)(C)C |&1:1,4,7,11,13,18,21,28,32,r|

Mass

MS-NW-2423          
glycyrrhetinic acid
C30H46O4            (Mass of molecular ion:    470)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       1.8
      18.0      10.1
      27.0       2.9
      28.0       3.1
      29.0       7.7
      39.0       3.4
      41.0      27.6
      42.0       1.5
      43.0      18.1
      44.0       2.2
      45.0       1.9
      53.0       6.1
      54.0       1.1
      55.0      22.5
      56.0       1.5
      57.0       6.2
      59.0       2.3
      65.0       2.5
      67.0      12.1
      68.0       1.7
      69.0      19.6
      70.0       1.3
      71.0       5.3
      77.0       6.7
      78.0       1.5
      79.0      11.1
      80.0       3.2
      81.0      20.9
      82.0       2.9
      83.0       8.7
      85.0       2.2
      87.0       1.4
      91.0      13.4
      92.0       2.3
      93.0      16.4
      94.0       4.3
      95.0      25.9
      96.0       4.7
      97.0       6.9
     103.0       1.4
     105.0      18.5
     106.0       3.7
     107.0      18.8
     108.0       7.5
     109.0      14.8
     110.0       2.2
     111.0       2.4
     115.0       2.4
     116.0       1.3
     117.0       3.7
     118.0       2.0
     119.0      18.2
     120.0       5.8
     121.0      24.4
     122.0       5.2
     123.0       7.8
     124.0       1.1
     125.0       1.8
     127.0       1.0
     128.0       2.2
     129.0       2.9
     130.0       1.4
     131.0       5.7
     132.0       2.1
     133.0      12.7
     134.0       4.4
     135.0     100.0
     136.0      12.0
     137.0       3.9
     139.0       2.5
     141.0       2.1
     142.0       1.9
     143.0       3.3
     144.0       1.7
     145.0       7.1
     146.0       2.6
     147.0      11.8
     148.0       7.9
     149.0      12.7
     150.0       2.1
     151.0       2.0
     153.0       1.7
     155.0       2.0
     156.0       1.3
     157.0       3.9
     158.0       1.9
     159.0      10.3
     160.0       3.3
     161.0      12.2
     162.0       3.5
     163.0       3.8
     164.0       1.0
     165.0       1.6
     167.0       2.4
     169.0       1.7
     171.0       3.3
     172.0       2.8
     173.0      12.0
     174.0      15.0
     175.0      57.8
     176.0      11.2
     177.0       4.3
     178.0       1.0
     179.0       1.7
     181.0       4.4
     182.0       1.0
     183.0       1.9
     185.0       2.6
     186.0       1.2
     187.0       6.1
     188.0       5.5
     189.0      14.3
     190.0       4.5
     191.0       4.5
     192.0      15.8
     193.0      20.1
     194.0       2.9
     195.0       1.1
     197.0       1.7
     199.0       3.9
     200.0       1.3
     201.0       7.5
     202.0       2.2
     203.0       2.9
     205.0       1.3
     207.0       2.0
     209.0       1.1
     211.0       2.1
     213.0       2.3
     214.0       1.8
     215.0       4.6
     216.0      21.4
     217.0      14.8
     218.0       3.3
     219.0       6.7
     220.0       1.5
     221.0       1.4
     227.0       1.7
     229.0       2.6
     230.0       1.7
     231.0       2.4
     232.0       7.4
     233.0       2.9
     234.0       5.0
     235.0       5.1
     236.0       1.3
     237.0       1.0
     239.0       1.0
     241.0       1.2
     243.0       1.4
     247.0       3.4
     248.0       9.8
     249.0       2.2
     253.0       1.4
     255.0       2.3
     257.0      10.7
     258.0       2.6
     259.0       1.1
     261.0       1.0
     262.0      74.7
     263.0      14.4
     264.0       2.0
     269.0       2.6
     270.0       1.6
     271.0       3.6
     272.0       1.5
     283.0       1.4
     284.0       1.7
     285.0       1.7
     287.0       1.1
     289.0       1.0
     301.0      10.0
     302.0       2.6
     303.0      68.6
     304.0      15.0
     305.0       2.1
     315.0       1.2
     316.0       1.2
     317.0       3.7
     318.0       1.0
     406.0       1.2
     409.0       1.2
     424.0       2.5
     437.0       2.0
     452.0       1.6
     455.0       1.3
     470.0       5.4
     471.0       1.9