L-Glutamine(56-85-9) ¹³C NMR

Product NameL-Glutamine

CAS 56-85-9

Molecular FormulaC5H10N2O3

Molecular Weight146.14

InChIInChI=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

SmilesC(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

¹H NMR	399.65 MHz
C₅ H₁₀ N₂ O₃	0.036 g : 0.5 ml D₂O
L-glutamine

    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)