71-90-9

ALFA-甲基谷氨酸(71-90-9)核磁图(¹³CNMR)

产品名称:ALFA-甲基谷氨酸

CAS:71-90-9

分子式:C6H11NO4

分子量: 161.16

InChI:InChI=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

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

Mass

MS-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

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