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56-85-9

L-谷氨酰胺(56-85-9)核磁图(13CNMR)

产品名称:L-谷氨酰胺

CAS:56-85-9

分子式:C5H10N2O3

分子量: 146.14

InChI:InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

InChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-N

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

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    Mass

    MS-NW-2549          
    L-glutamine
    C5H10N2O3           (Mass of molecular ion:    146)
    

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

          16.0       4.7
          17.0       6.7
          18.0       9.0
          26.0       2.0
          27.0       4.7
          28.0      26.1
          29.0       3.4
          30.0       3.4
          39.0       2.9
          40.0       1.0
          41.0      26.5
          42.0       3.1
          43.0       2.6
          44.0       4.2
          45.0       2.6
          54.0       2.9
          55.0       3.5
          56.0      18.7
          57.0       1.9
          59.0       4.5
          66.0       1.4
          72.0       1.8
          73.0       3.0
          74.0       1.6
          83.0       9.7
          84.0     100.0
          85.0       5.0
         100.0       2.2
         101.0      10.4
         129.0       4.1
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C5 H10 N2 O3 0.036 g : 0.5 ml D2O
    L-glutamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.783 B 2.46 C 2.14 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1518.19   3.799    500
       1511.96   3.784   1000
       1505.86   3.768    497
       1007.81   2.522     42
       1000.73   2.505     56
        999.51   2.501     70
        998.41   2.499     38
        998.05   2.498     38
        997.31   2.496     43
        996.70   2.494     45
        996.34   2.494     46
        992.43   2.484    441
        989.01   2.475    447
        984.62   2.464    761
        981.20   2.456    943
        976.44   2.444    542
        973.88   2.437    574
        970.09   2.428     47
        969.73   2.427     46
        965.70   2.417     82
        958.50   2.399     55
        874.27   2.188     32
        873.90   2.187     32
        872.80   2.184     33
        872.07   2.183     37
        867.55   2.171    509
        860.23   2.153    769
        856.32   2.143    202
        854.00   2.137    638
        852.54   2.134    638
        846.44   2.118    261
        845.09   2.115    273
    

in D2O (PH 7.78)

in D2O (PH 1.37)

in D2O (PH 10.11)

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KBr disc

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nujol mull

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4880 A,200 M,powder

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