DL-2-METHYLGLUTAMIC ACID(71-90-9) MS
Product NameDL-2-METHYLGLUTAMIC ACID
CAS71-90-9
Molecular FormulaC6H11NO4
Molecular Weight161.16
InChIInChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey QHSCIWIRXWFIGH-LURJTMIESA-N
SmilesC(O)(=O)[C@](C)(CCC(O)=O)N
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MassMS-NW-1918 DL-2-methylglutamic acid C6H11NO4 (H2O) (Mass of molecular ion: 161)
Source Temperature: 220 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 4.2 17.0 6.5 18.0 28.2 26.0 2.6 27.0 8.5 28.0 11.4 29.0 2.8 30.0 7.1 39.0 3.7 40.0 1.8 41.0 6.7 42.0 24.9 43.0 4.9 44.0 7.5 45.0 2.4 52.0 1.2 53.0 3.4 54.0 5.3 55.0 28.0 56.0 4.5 68.0 1.1 69.0 3.4 70.0 10.8 71.0 1.0 80.0 1.5 81.0 1.8 82.0 2.4 88.0 2.0 95.0 1.0 97.0 5.8 98.0 100.0 99.0 6.4 100.0 1.1 116.0 2.1 128.0 1.0
400 MHz in D2O
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1H NMR 399.65 MHz C6 H11 N O4 saturated in D2O DL-2-methylglutamic acid 
Assign. Shift(ppm)
A *1 2.502 B *1 2.437 C *2 2.143 D *2 2.094 E 1.510 SOLVENT PEAK REMOVED
Hz ppm Int.1014.28 2.538 31 1004.52 2.514 77 997.44 2.496 75 994.87 2.490 73 987.92 2.472 79 986.57 2.469 69 980.47 2.454 72 977.05 2.445 78 971.19 2.431 75 960.21 2.403 34 859.38 2.151 75 853.39 2.136 71 849.61 2.126 110 843.87 2.112 68 842.41 2.108 86 839.84 2.102 76 834.47 2.089 32 833.01 2.085 63 603.52 1.511 1000
D2O
KBr disc
nujol mull
4880 A,200 M,powder
