80-97-7

二氢胆固醇(80-97-7)质谱(MS)

分子式:C27H48O

分子量: 388.68

InChI:InChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/s3

InChIKey: QYIXCDOBOSTCEI-GPTIZIFDNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)C |&1:1,4,6,9,12,16,18,22,24,r|

Mass

MS-NW-2197          
5alpha-cholestan-3beta-ol
C27H48O             (Mass of molecular ion:    388)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       4.0
      18.0      18.3
      27.0       6.7
      28.0       1.8
      29.0      20.2
      39.0       5.7
      40.0       1.5
      41.0      51.2
      42.0       5.0
      43.0      62.8
      44.0       2.2
      53.0       9.1
      54.0       3.0
      55.0      65.5
      56.0       7.2
      57.0      43.7
      58.0       1.8
      65.0       3.5
      66.0       2.0
      67.0      44.2
      68.0      13.8
      69.0      42.2
      70.0       5.3
      71.0      18.9
      72.0       1.1
      77.0      11.1
      78.0       2.9
      79.0      36.9
      80.0       9.4
      81.0      70.3
      82.0      16.4
      83.0      29.3
      84.0       2.6
      85.0       4.4
      91.0      28.6
      92.0       9.0
      93.0      46.5
      94.0      19.2
      95.0      68.9
      96.0       9.6
      97.0      19.8
      98.0       1.8
      99.0       1.3
     103.0       1.1
     104.0       2.4
     105.0      29.6
     106.0      22.5
     107.0      62.7
     108.0      65.7
     109.0      47.4
     110.0       7.7
     111.0      17.3
     112.0       1.9
     113.0       1.3
     115.0       2.0
     117.0       4.5
     118.0       3.0
     119.0      21.5
     120.0      16.3
     121.0      43.0
     122.0      28.8
     123.0      31.9
     124.0      16.4
     125.0       7.1
     126.0       1.7
     127.0       1.3
     128.0       1.6
     129.0       1.6
     131.0       7.1
     132.0       2.9
     133.0      21.0
     134.0      16.7
     135.0      30.7
     136.0      16.9
     137.0      12.4
     138.0       6.8
     139.0       2.5
     143.0       1.4
     145.0      12.7
     146.0       5.0
     147.0      31.9
     148.0      16.3
     149.0      28.9
     150.0       6.4
     151.0       6.5
     152.0       4.3
     153.0       1.7
     157.0       1.2
     159.0       8.6
     160.0       7.4
     161.0      25.1
     162.0      15.1
     163.0      13.1
     164.0       5.1
     165.0      46.2
     166.0      18.8
     167.0       4.7
     173.0       8.1
     174.0       4.8
     175.0      12.1
     176.0      11.3
     177.0       7.2
     178.0       5.7
     179.0       3.3
     187.0       6.0
     188.0       4.9
     189.0       7.1
     190.0      10.1
     191.0       6.5
     192.0       3.1
     193.0       3.4
     194.0       1.1
     199.0       1.3
     201.0      13.5
     202.0       5.4
     203.0      14.0
     204.0       4.7
     205.0       4.0
     206.0       7.3
     207.0       2.6
     208.0       3.9
     213.0       1.6
     214.0       1.3
     215.0      91.5
     216.0      45.9
     217.0      50.0
     218.0      13.1
     219.0      12.6
     220.0       4.4
     221.0       1.2
     229.0       4.9
     230.0      14.9
     231.0      18.5
     232.0      12.2
     233.0     100.0
     234.0      83.5
     235.0      14.0
     236.0       1.5
     243.0       2.3
     244.0       1.3
     245.0       1.5
     246.0       2.4
     247.0       4.4
     248.0      19.8
     249.0       4.3
     255.0       2.0
     256.0       2.0
     257.0      52.5
     258.0      12.1
     259.0       2.8
     260.0       2.4
     261.0       2.5
     262.0      16.2
     263.0       5.8
     264.0       1.6
     273.0       2.3
     274.0       2.9
     275.0       5.2
     276.0       2.7
     285.0       4.2
     286.0       1.6
     287.0       1.6
     288.0       3.8
     289.0       2.1
     301.0       3.2
     302.0       1.4
     314.0       1.5
     315.0       2.3
     316.0      18.9
     317.0       5.1
     328.0       1.0
     329.0       1.3
     331.0       3.8
     332.0       1.0
     355.0      23.8
     356.0       7.2
     357.0       3.0
     368.0       1.4
     369.0       1.5
     370.0      41.9
     371.0      14.0
     372.0       5.4
     373.0      18.3
     374.0       5.9
     386.0       5.6
     387.0       2.1
     388.0      58.8
     389.0      17.8
     390.0       2.6