2799-07-7

S-三苯甲基-L-半胱氨酸(2799-07-7)质谱(MS)

分子式:C22H21NO2S

分子量: 363.47

InChI:InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1

InChIKey: DLMYFMLKORXJPO-FQEVSTJZSA-N

Smiles:C(O)(=O)[C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N

Mass

MS2014-05045CW      
S-trityl-L-cysteine
C22H21NO2S          (Mass of molecular ion:    363)

   Source Temperature: 255 °C
   Sample Temperature: 100 °C
   Direct, 70 eV

      17.0       1.2
      18.0       4.2
      27.0       2.5
      28.0       2.4
      30.0       1.1
      32.0       1.1
      34.0       2.2
      39.0       3.1
      41.0       1.5
      42.0       3.5
      43.0       1.1
      44.0       8.2
      45.0       1.0
      50.0       1.6
      51.0       4.9
      52.0       1.1
      62.0       1.0
      63.0       3.3
      64.0       1.0
      65.0       1.2
      72.0       1.1
      74.0       2.3
      75.0       2.3
      76.0       2.4
      77.0       3.7
      78.0       3.1
      86.0       1.1
      87.0       1.9
      88.0       1.7
      89.0       2.1
      91.0       3.4
      93.5       1.0
      94.5       3.2
     100.0       1.4
     101.0       3.1
     102.0       1.1
     106.5       3.2
     107.0       1.6
     107.5       3.8
     108.0       1.5
     113.0       5.3
     113.5       1.3
     114.0       2.2
     115.0       5.8
     118.5       2.3
     119.0       2.6
     119.5       7.4
     120.0       5.1
     120.5       1.5
     121.0       1.0
     121.5       1.6
     126.0       1.5
     139.0       5.0
     150.0       1.2
     151.0       1.4
     152.0       3.7
     163.0       6.0
     164.0       6.6
     165.0     100.0
     166.0      19.8
     167.0       9.6
     168.0       1.3
     176.0       1.7
     187.0       1.7
     188.0       1.1
     189.0       3.5
     200.0       1.7
     201.0       1.3
     202.0       5.5
     203.0       1.6
     213.0       3.6
     214.0       1.1
     215.0      11.1
     216.0       2.7
     226.0       5.6
     227.0       3.4
     228.0      12.8
     229.0       3.1
     237.0       2.6
     238.0       1.5
     239.0      20.0
     240.0       7.8
     241.0      35.7
     242.0      33.9
     243.0      89.6
     244.0      28.2
     245.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₂ H₂₁ N O₂ S	0.036 g : 0.5 ml DMSO-d₆
S-trityl-L-cysteine

    Assign.     Shift(ppm)

      A             7.33
      B             7.24
      C             2.978
      D     *1      2.582
      E     *1      2.451

     Hz     ppm     Int.

   2931.64   7.336    907
   2927.37   7.325   1000
   2923.22   7.315     93
   2919.56   7.306     48
   2918.09   7.302     53
   2916.50   7.298     61
   2914.79   7.294     42
   2908.94   7.279     63
   2908.20   7.277     61
   2904.05   7.267     92
   2899.90   7.257    148
   2895.63   7.246    159
   2891.48   7.236    106
   2886.84   7.224     75
   2885.01   7.219     67
   2878.30   7.203     36
   1188.72   2.975     32
   1029.54   2.577     34
    989.62   2.477     34
    980.59   2.454     34

in DMSO-d6