328-50-7

2-Ketoglutaric acid(328-50-7) MS

Product Name2-Ketoglutaric acid

CAS 328-50-7

Molecular FormulaC5H6O5

Molecular Weight146.1

InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

InChIKey KPGXRSRHYNQIFN-UHFFFAOYSA-N

SmilesC(O)(=O)C(=O)CCC(O)=O

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2-Ketoglutaric acid(328-50-7) MS
Mass

MS-NW-0186          
2-oxoglutaric acid
C5H6O5              (Mass of molecular ion:    146)

   Source Temperature: 195 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

       2.0       1.2
      14.0       3.7
      15.0       3.0
      17.0       1.5
      18.0       2.0
      19.0       1.3
      25.0       3.1
      26.0      24.3
      27.0      68.5
      28.0      37.4
      29.0      69.6
      30.0       3.2
      31.0       7.2
      37.0       2.4
      38.0       2.5
      39.0       4.0
      41.0       1.9
      42.0      16.2
      43.0      14.5
      44.0       5.5
      45.0     100.0
      46.0       5.2
      47.0       1.2
      53.0       5.0
      54.0       2.2
      55.0      74.7
      56.0      13.9
      57.0       2.6
      60.0       2.8
      73.0      41.6
      74.0      25.5
      75.0       1.1
      83.0       1.6
      84.0       1.4
     101.0      75.2
     102.0       3.8
     129.0       2.7

400 MHz in DMSO-d6

2-Ketoglutaric acid(328-50-7) MS

¹H NMR	399.65 MHz
C₅ H₆ O₅	0.040 g : 0.5 ml DMSO-d₆
2-oxoglutaric acid

    Assign.     Shift(ppm)

      A            13.0
      B             3.001
      C             2.490

     Hz     ppm     Int.

   1206.30   3.019    557
   1199.95   3.003   1000
   1193.36   2.987    630
   1018.31   2.549     23
   1016.85   2.545     26
   1014.89   2.540     51
   1012.94   2.535     65
   1001.46   2.506    730
    994.87   2.490    989
    988.53   2.474    550

in DMSO-d6