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2792-66-7

DL-Α-甲基天冬氨酸(2792-66-7)红外图谱(IR2)

分子式:C5H9NO4

分子量: 147.13

InChI:InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey: CWAYDJFPMMUKOI-YFKPBYRVSA-N

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

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    Mass

    MS-IW-3406          
    2-methyl-DL-aspartic acid
    C5H9NO4 H2O         (Mass of molecular ion:    147)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          14.0       1.0
          15.0       7.1
          17.0       3.2
          18.0      17.9
          26.0       1.0
          27.0       3.0
          28.0      11.9
          29.0       3.1
          30.0       3.4
          38.0       1.7
          39.0      10.2
          40.0       6.2
          41.0      15.0
          42.0      90.1
          43.0      32.2
          44.0       8.9
          45.0       8.3
          54.0       1.7
          55.0       1.2
          56.0       9.8
          57.0      12.4
          58.0       4.5
          60.0       5.8
          68.0       4.5
          69.0       1.4
          70.0       2.3
          83.0       1.1
          84.0      54.1
          85.0       5.1
          86.0       6.9
          88.0      12.2
         102.0     100.0
         103.0       5.8
         114.0       1.7
    

KBr disc

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nujol mull

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