4685-12-5

甘氨酰-L-天冬氨酸(4685-12-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:甘氨酰-L-天冬氨酸

CAS:4685-12-5

分子式:C6H10N2O5

分子量: 190.15

InChI:InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1

InChIKey: SCCPDJAQCXWPTF-VKHMYHEASA-N

Smiles:C(O)(=O)[C@H](CC(O)=O)NC(=O)CN

¹³CNMR

IR1

IR2

Mass

MS-NW-3479          
glycyl-L-aspartic acid
C6H10N2O5           (Mass of molecular ion:    190)

   Source Temperature: 270 °C
   Sample Temperature: 290 °C
   Direct, 75 eV

      20.0       4.5
      22.0       1.1
      26.0       5.1
      27.0      10.8
      28.0      24.4
      29.0       7.6
      30.0      48.4
      31.0       1.7
      38.0       1.5
      39.0       3.7
      40.0       6.5
      41.0      14.1
      42.0      19.1
      43.0      17.0
      44.0     100.0
      45.0       5.8
      46.0       1.9
      50.0       1.2
      51.0       1.8
      52.0       2.3
      53.0       2.6
      54.0       5.4
      55.0      18.4
      56.0      12.1
      57.0       4.4
      58.0       2.0
      59.0       3.7
      60.0       7.2
      63.0       1.2
      64.0       1.2
      65.0       2.6
      66.0       1.1
      67.0       2.4
      68.0       2.6
      69.0       4.1
      70.0      13.8
      71.0       3.2
      72.0       2.9
      73.0       1.1
      77.0       2.1
      78.0       1.3
      79.0       1.4
      80.0       1.5
      81.0       1.4
      82.0       5.1
      83.0       4.4
      84.0       4.3
      85.0      11.0
      86.0       1.7
      87.0       1.7
      88.0       6.1
      89.0       2.0
      90.0       1.0
      91.0       9.0
      92.0       2.2
      96.0       1.9
      97.0       3.1
      98.0       3.9
      99.0       4.4
     100.0       2.7
     101.0       4.8
     107.0       2.3
     108.0       1.7
     109.0       1.1
     110.0       6.5
     111.0       7.7
     112.0      11.3
     113.0       7.5
     114.0       3.5
     124.0       1.2
     126.0      23.7
     127.0       4.1
     129.0       2.1
     136.0       1.6
     138.0       1.3
     153.0       2.0
     154.0      12.1
     155.0       2.0
     171.0       1.6
     172.0      14.8
     173.0       1.8

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