4351-55-7

膽甾烯基甲酸酯(4351-55-7)質(zhì)譜(MS)

分子式:C28H46O2

分子量: 414.66

InChI:InChI=1/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/s3

InChIKey: YEYCQJVCAMFWCO-GUUSYENVNA-N

Smiles:[C@@]12([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](OC=O)CC3=CC[C@@]21[H] |&1:0,4,5,13,17,19,23,31,r|

IR1

IR2

IR3

Mass

MS-NW-2282          
cholesterol formate
C28H46O2            (Mass of molecular ion:    414)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       2.2
      18.0      10.9
      27.0       5.3
      28.0       5.1
      29.0      13.4
      39.0       4.4
      40.0       1.1
      41.0      35.7
      42.0       3.1
      43.0      46.2
      44.0       3.7
      45.0       7.1
      46.0       9.5
      53.0       6.1
      54.0       1.0
      55.0      39.5
      56.0       3.7
      57.0      30.7
      58.0       1.3
      65.0       3.1
      66.0       1.1
      67.0      25.7
      68.0       3.3
      69.0      23.9
      70.0       2.1
      71.0      15.7
      77.0       9.2
      78.0       2.9
      79.0      22.3
      80.0       4.1
      81.0      51.9
      82.0       5.6
      83.0      17.6
      84.0       1.4
      85.0       3.7
      91.0      28.5
      92.0       7.0
      93.0      28.8
      94.0       7.3
      95.0      35.3
      96.0       3.8
      97.0       9.7
      99.0       1.1
     103.0       2.2
     104.0       2.6
     105.0      33.7
     106.0      12.2
     107.0      32.4
     108.0      11.0
     109.0      23.2
     110.0       3.1
     111.0       6.3
     113.0       1.4
     115.0       4.3
     116.0       2.4
     117.0      11.7
     118.0       6.8
     119.0      18.8
     120.0      18.5
     121.0      38.7
     122.0       7.8
     123.0       9.6
     124.0       2.1
     125.0       2.4
     127.0       1.3
     128.0       5.1
     129.0       8.4
     130.0       4.4
     131.0      18.5
     132.0       5.4
     133.0      21.0
     134.0       6.6
     135.0      19.2
     136.0       4.0
     137.0       4.9
     141.0       3.6
     142.0       3.7
     143.0      15.7
     144.0       6.6
     145.0      44.6
     146.0      15.5
     147.0      40.9
     148.0      11.9
     149.0      12.5
     150.0       2.1
     151.0       3.2
     153.0       1.1
     155.0       3.4
     156.0       2.1
     157.0       9.3
     158.0       8.2
     159.0      23.3
     160.0      17.7
     161.0      17.6
     162.0       5.7
     163.0       9.9
     164.0       1.6
     165.0       2.8
     167.0       1.2
     169.0       2.4
     170.0       1.2
     171.0       6.2
     172.0       3.2
     173.0       9.7
     174.0       4.1
     175.0       5.4
     176.0       1.6
     177.0       3.0
     179.0       1.7
     183.0       2.0
     184.0       1.1
     185.0       6.2
     186.0       2.6
     187.0       5.7
     188.0       1.5
     189.0       3.0
     191.0       3.2
     192.0       1.3
     193.0       3.1
     195.0       1.0
     197.0       2.7
     198.0       1.4
     199.0       7.5
     200.0       4.0
     201.0       9.1
     202.0       6.8
     203.0       2.3
     205.0       5.4
     206.0      16.2
     207.0       4.5
     211.0       4.2
     212.0       2.5
     213.0      19.2
     214.0       6.9
     215.0       6.1
     216.0       3.8
     217.0       1.5
     219.0       3.0
     220.0       1.1
     225.0       1.2
     226.0       1.4
     227.0       3.6
     228.0       5.9
     229.0       4.6
     230.0       1.2
     231.0       1.3
     239.0       2.0
     240.0       1.2
     241.0       3.1
     242.0       1.2
     243.0       1.6
     245.0       2.9
     246.0       4.7
     247.0      32.8
     248.0       7.4
     249.0       1.1
     251.0       1.1
     253.0      11.5
     254.0       3.6
     255.0      51.2
     256.0      12.0
     257.0      11.0
     258.0       3.6
     259.0       3.4
     260.0      14.5
     261.0       5.4
     262.0       1.2
     269.0       1.1
     271.0       2.2
     273.0       1.2
     274.0       2.1
     275.0       2.4
     279.0       1.6
     281.0       3.5
     282.0       1.2
     283.0      16.8
     284.0       5.3
     285.0       2.2
     286.0       1.0
     297.0       1.8
     299.0       1.0
     314.0       1.8
     326.0       1.9
     339.0       1.0
     351.0       2.7
     352.0       1.3
     353.0      31.1
     354.0       9.1
     355.0       3.7
     364.0       1.3
     366.0       6.9
     367.0       3.6
     368.0     100.0
     369.0      30.2
     370.0       6.5
     371.0       1.3

CCl4 solution