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返回ChemicalBook首页>CAS数据库列表>39537-23-0更多图谱> L-丙氨酰-L-谷氨酰胺(39537-23-0)质谱(MS)

39537-23-0

L-丙氨酰-L-谷氨酰胺(39537-23-0)质谱(MS)

分子式:C8H15N3O4

分子量: 217.22

InChI:InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

InChIKey: HJCMDXDYPOUFDY-WHFBIAKZSA-N

Smiles:C(O)(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N

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    Mass

    MS2016-05306CW      
    L-alanyl-L-glutamine
    C8H15N3O4           (Mass of molecular ion:    217)
    

       Source Temperature: 250 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          15.0       6.2
          16.0       5.0
          17.0       7.0
          18.0      21.0
          26.0       2.0
          27.0      10.2
          28.0      31.1
          29.0       3.9
          30.0       3.6
          32.0       1.4
          39.0       3.6
          40.0       1.7
          41.0      15.2
          42.0      14.8
          43.0       6.9
          44.0     100.0
          45.0       3.4
          54.0       4.6
          55.0      10.4
          56.0      14.1
          57.0       3.7
          59.0      17.0
          68.0       2.0
          69.0       2.6
          70.0       4.4
          71.0       1.9
          72.0       4.3
          73.0       6.9
          82.0       2.5
          83.0       5.3
          84.0      36.3
          85.0      12.4
          86.0       1.2
          97.0       3.6
          98.0       2.2
          99.0       3.5
         100.0       1.4
         101.0       2.1
         109.0       2.0
         110.0       1.0
         111.0       3.6
         112.0       3.7
         113.0       7.8
         126.0       5.6
         127.0       1.7
         128.0       3.2
         138.0       1.7
         139.0       2.9
         140.0       5.0
         141.0       3.3
         154.0       6.2
         155.0       1.1
         156.0       1.3
         181.0       1.2
         182.0      40.8
         183.0       4.5
         199.0       1.9
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C8 H15 N3 O4 0.043 g : 0.5 ml D2O
    L-alanyl-L-glutamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.185 B 4.121 C 2.342 D *1 2.133 E *1 1.978 F 1.567

         Hz     ppm     Int.
    

       1679.57   4.203    127
       1674.44   4.190    145
       1671.14   4.182    154
       1666.02   4.169    132
       1657.84   4.149     85
       1650.63   4.131    300
       1643.55   4.113    309
       1636.47   4.095     86
        944.46   2.364    194
        936.52   2.344    477
        928.83   2.325    269
        869.75   2.177     38
        864.62   2.164     42
        862.30   2.158     49
        861.33   2.156     41
        857.18   2.145     61
        855.96   2.142     90
        853.88   2.137     39
        850.71   2.129     59
        848.02   2.122    107
        842.77   2.109     92
        839.84   2.102     43
        834.72   2.089     38
        808.23   2.023     49
        800.17   2.003     98
        794.19   1.988     57
        792.72   1.984    109
        786.62   1.969     86
        784.67   1.964     59
        778.32   1.948     77
        630.00   1.577   1000
        622.92   1.559    979
    

in D2O

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KBr disc

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nujol mull

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