GLYCYL-D-ASPARTIC ACID(17343-03-2) IR1

Product NameGLYCYL-D-ASPARTIC ACID

CAS 17343-03-2

Molecular FormulaC6H10N2O5

Molecular Weight190.15

InChIInChI=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-/m1/s1

InChIKey SCCPDJAQCXWPTF-GSVOUGTGSA-N

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

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IR1

IR2

Mass

MS-NW-1876          
glycyl-D-aspartic acid
C6H10N2O5           (Mass of molecular ion:    190)

   Source Temperature: 230 °C
   Sample Temperature: 270 °C
   Direct, 75 eV

      20.0       1.2
      26.0       4.1
      27.0      12.2
      28.0      39.8
      29.0      14.3
      30.0     100.0
      31.0       6.2
      32.0       1.4
      39.0       2.6
      40.0       4.6
      41.0      10.1
      42.0      20.9
      43.0      24.0
      44.0      34.5
      45.0       7.1
      46.0       3.5
      53.0       2.0
      54.0       3.3
      55.0      22.2
      56.0      11.9
      57.0       6.4
      58.0       3.2
      59.0       1.3
      60.0      16.2
      68.0       2.2
      69.0       4.5
      70.0      21.3
      71.0       2.8
      72.0       3.5
      73.0       2.7
      75.0       1.2
      82.0       3.0
      83.0       4.8
      84.0       3.3
      85.0      14.7
      86.0       1.6
      87.0       1.9
      88.0      12.0
      89.0       1.9
      96.0       1.5
      97.0       3.1
      98.0       5.7
      99.0       4.1
     100.0       3.3
     101.0       9.2
     110.0       2.4
     111.0       4.2
     112.0      17.0
     113.0      10.1
     114.0       2.5
     126.0      43.7
     127.0       6.9
     128.0       1.1
     129.0       3.0
     154.0      16.5
     155.0       2.1
     172.0      22.7
     173.0       1.8

KBr disc