L-Glutamine(56-85-9) MS
Product NameL-Glutamine
CAS56-85-9
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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MassMS-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 
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)
KBr disc
nujol mull
4880 A,200 M,powder
