36011-19-5

细胞松驰素 E(36011-19-5)质谱(MS)

分子式:C28H33NO7

分子量: 495.56

InChI:InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1

InChIKey: LAJXCUNOQSHRJO-ZYGJITOWSA-N

Smiles:[C@H]1(CC2=CC=CC=C2)[C@@]2([H])[C@@]3(OC(=O)OC=C[C@](O)(C)C(=O)[C@@H](C)CC=C[C@@]3([H])[C@]3([H])O[C@]3(C)[C@H]2C)C(=O)N1 |t:16,26|

IR1

IR2

Mass

MS-NW-9095          
Cytochalasin E
C28H33NO7           (Mass of molecular ion:    495)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       3.2
      16.0       1.2
      17.0       5.2
      18.0      27.8
      26.0       1.5
      27.0       5.9
      28.0      13.8
      29.0      11.5
      30.0       3.7
      31.0       1.2
      39.0       8.7
      40.0       2.4
      41.0      20.6
      42.0       5.3
      43.0      62.4
      44.0      47.2
      45.0       2.1
      51.0       3.0
      52.0       1.7
      53.0       8.4
      54.0       2.2
      55.0      19.1
      56.0       3.1
      57.0       4.5
      58.0       1.1
      63.0       1.8
      65.0      11.6
      66.0       2.6
      67.0       8.8
      68.0       3.7
      69.0      10.6
      70.0       7.0
      71.0      10.5
      72.0       1.7
      77.0      13.3
      78.0       4.3
      79.0      14.7
      80.0       5.1
      81.0      13.5
      82.0       8.3
      83.0       7.3
      84.0       2.2
      85.0       2.9
      86.0       3.5
      87.0       3.9
      89.0       2.1
      90.0       1.7
      91.0     100.0
      92.0      12.3
      93.0      16.5
      94.0       5.0
      95.0       9.6
      96.0       9.2
      97.0       5.0
      98.0       3.0
     100.0       1.5
     102.0       1.0
     103.0       5.3
     104.0       4.0
     105.0      16.7
     106.0       6.8
     107.0       8.9
     108.0       8.2
     109.0      11.4
     110.0      11.7
     111.0       3.2
     112.0       2.2
     115.0       8.4
     116.0       5.0
     117.0      12.3
     118.0       6.8
     119.0      15.0
     120.0      32.5
     121.0      11.5
     122.0       6.5
     123.0       5.3
     124.0       6.0
     125.0       6.5
     126.0       2.5
     127.0       2.8
     128.0       8.2
     129.0       8.1
     130.0       6.1
     131.0       9.4
     132.0       6.6
     133.0      12.3
     134.0      17.6
     135.0       9.9
     136.0      10.3
     137.0       6.1
     138.0       3.0
     139.0       1.9
     141.0       3.9
     142.0       3.6
     143.0       7.5
     144.0       7.2
     145.0      13.3
     146.0      13.6
     147.0      13.1
     148.0      10.7
     149.0       7.5
     150.0       6.6
     151.0       3.9
     152.0       5.5
     153.0       2.3
     154.0       3.8
     155.0       3.6
     156.0       3.4
     157.0       8.2
     158.0       5.1
     159.0       8.9
     160.0      13.8
     161.0      12.3
     162.0      50.5
     163.0       9.8
     164.0       5.2
     165.0       3.5
     166.0       7.2
     167.0       2.9
     168.0       1.9
     169.0       2.8
     170.0       3.7
     171.0       6.7
     172.0      15.1
     173.0      16.1
     174.0      19.8
     175.0      10.2
     176.0      11.7
     177.0       6.9
     178.0      15.0
     179.0       3.8
     180.0       2.3
     181.0       2.2
     182.0       1.9
     183.0       3.6
     184.0       5.1
     185.0       8.3
     186.0       9.4
     187.0       6.5
     188.0      14.6
     189.0       9.0
     190.0      22.5
     191.0       5.3
     192.0       6.8
     193.0       2.4
     194.0       1.5
     195.0       2.2
     196.0       2.0
     197.0       3.3
     198.0       8.4
     199.0       7.7
     200.0      16.1
     201.0       8.5
     202.0       9.8
     203.0       7.3
     204.0      20.0
     205.0       3.7
     206.0       2.1
     207.0       1.8
     208.0       1.4
     209.0       2.6
     210.0       4.3
     211.0       7.5
     212.0       7.7
     213.0       4.4
     214.0       4.4
     215.0       3.5
     216.0      14.1
     217.0       7.3
     218.0      28.6
     219.0       5.6
     220.0       1.8
     221.0       1.5
     222.0       1.4
     223.0       2.2
     224.0       4.4
     225.0       5.3
     226.0      16.0
     227.0       7.5
     228.0      18.8
     229.0       5.5
     230.0       4.1
     231.0       2.0
     232.0       1.7
     233.0       1.3
     234.0       1.5
     235.0       1.6
     236.0       3.2
     237.0       2.4
     238.0       4.7
     239.0       2.8
     240.0       6.8
     241.0       3.2
     242.0       3.1
     243.0       2.8
     244.0       6.5
     245.0       7.4
     246.0      81.1
     247.0      15.3
     248.0       3.3
     249.0       1.5
     250.0       3.4
     251.0       3.1
     252.0      10.1
     253.0      15.4
     254.0       9.8
     255.0       4.1
     256.0       7.1
     257.0       3.7
     258.0       7.3
     259.0       1.7
     260.0       1.8
     261.0       1.2
     262.0       1.9
     263.0       2.0
     264.0       4.8
     265.0       3.1
     266.0       7.6
     267.0       3.0
     268.0       6.0
     269.0       2.9
     270.0       8.1
     271.0       2.4
     272.0       3.6
     273.0       2.3
     274.0      10.1
     275.0       2.7
     276.0       2.4
     277.0       1.8
     278.0       4.9
     279.0       2.7
     280.0       6.6
     281.0       4.1
     282.0       5.6
     283.0       2.6
     284.0       1.7
     286.0       1.2
     288.0       4.6
     289.0       2.0
     290.0       4.0
     291.0       2.3
     292.0       3.0
     293.0       2.5
     294.0      19.5
     295.0       7.3
     296.0       5.3
     297.0       2.4
     298.0       7.0
     299.0       1.9
     300.0       1.4
     302.0       1.1
     303.0       1.2
     304.0       3.4
     305.0       1.3
     306.0       3.8
     307.0       3.0
     308.0       7.3
     309.0       5.8
     310.0      10.5
     311.0       2.9
     312.0       1.1
     314.0       3.0
     315.0       1.0
     316.0       4.7
     317.0       1.6
     318.0       8.0
     319.0       4.7
     320.0      11.8
     321.0       4.3
     322.0       8.0
     323.0       2.2
     324.0       9.3
     325.0       2.4
     326.0       1.9
     330.0       1.0
     332.0       2.0
     334.0       1.6
     335.0       1.8
     336.0      17.0
     337.0      78.9
     338.0      25.4
     339.0       4.7
     340.0       1.1
     342.0       4.1
     343.0       1.1
     344.0       1.9
     346.0       7.0
     347.0       2.6
     348.0       4.7
     349.0       1.5
     350.0       1.9
     360.0       1.9
     361.0       1.2
     362.0       3.2
     363.0       1.6
     364.0      19.6
     365.0       8.7
     366.0       2.8
     370.0       1.2
     372.0       1.3
     379.0       2.0
     380.0       4.5
     381.0       5.8
     382.0       2.3
     386.0       1.1
     389.0       1.2
     390.0       4.5
     391.0       2.8
     404.0       1.5
     405.0       1.5
     407.0       6.0
     408.0       5.5
     409.0       1.4
     415.0       1.3
     417.0       1.0
     433.0       3.6
     434.0       1.3
     452.0       2.4
     467.0       1.4
     495.0       2.7

KBr disc