4337-37-5

DL-亮氨酰-甘氨酰-甘氨酸(4337-37-5)质谱(MS)

分子式:C10H19N3O4

分子量: 245.28

InChI:InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1

InChIKey: VWHGTYCRDRBSFI-ZETCQYMHSA-N

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

Mass

MS-NW-2133          
DL-leucylglycylglycine
C10H19N3O4          (Mass of molecular ion:    245)

   Source Temperature: 200 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      14.0       1.1
      15.0       2.0
      16.0       1.1
      17.0       4.4
      18.0      21.3
      26.0       2.0
      27.0       9.2
      28.0      16.7
      29.0       6.7
      30.0      56.2
      31.0       1.4
      38.0       1.2
      39.0       5.9
      40.0       3.0
      41.0      16.1
      42.0       8.3
      43.0      28.6
      44.0      28.2
      45.0       1.0
      52.0       1.0
      53.0       1.4
      54.0       2.2
      55.0       3.8
      56.0       3.3
      57.0       3.1
      67.0       1.6
      68.0       1.8
      69.0       2.0
      70.0       6.0
      71.0       1.2
      72.0       1.1
      74.0       1.4
      76.0       1.8
      81.0       1.6
      82.0       1.9
      84.0       3.3
      85.0       6.0
      86.0     100.0
      87.0       6.0
      96.0       1.2
      97.0       1.6
      98.0       1.4
      99.0       1.0
     113.0       2.6
     114.0       7.1
     125.0       1.5
     127.0       1.2
     153.0       3.7

400 MHz in D2O

¹H NMR	399.65 MHz
C₁₀ H₁₉ N₃ O₄	0.036 g : 0.5 ml D₂O
DL-leucylglycylglycine

    Assign.     Shift(ppm)

      A     *1      4.09
      B             4.08
      C     *1      3.976
      D     *2      3.797
      E     *2      3.784
      F             1.77
      G             1.71
      J     *3      0.981
      K     *3      0.966
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   1646.97   4.122    168
   1640.01   4.104     79
   1632.45   4.085    177
   1630.25   4.080    336
   1625.61   4.068    106
   1594.97   3.991    311
   1578.25   3.950    169
   1533.57   3.838     36
   1516.24   3.794    484
   1513.67   3.788    474
   1496.46   3.745     38
    724.61   1.814     30
    718.75   1.799     76
    710.82   1.779    173
    704.71   1.764    179
    703.13   1.760    183
    697.14   1.745    134
    692.75   1.734     79
    691.04   1.730     83
    688.11   1.722     71
    686.65   1.719     69
    684.69   1.714     85
    683.47   1.711     80
    678.59   1.698     57
    677.25   1.695     55
    670.90   1.679     35
    394.90   0.989    692
    389.40   0.975   1000
    383.30   0.960    653
    378.66   0.948     68

in D2O