3062-19-9

DL-ALANYL-DL-SERINE(3062-19-9)质谱(MS)

产品名称:DL-ALANYL-DL-SERINE

CAS:3062-19-9

分子式:C6H12N2O4

分子量: 176.17

InChI:InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1

InChIKey: IPWKGIFRRBGCJO-IMJSIDKUSA-N

Smiles:C(O)(=O)[C@H](CO)NC(=O)[C@H](C)N

Mass

MS-NW-2283          
DL-alanyl-DL-serine
C6H12N2O4           (Mass of molecular ion:    176)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       2.5
      17.0       1.7
      18.0       9.5
      27.0       2.1
      28.0       6.8
      29.0       1.4
      30.0       1.8
      31.0       1.3
      41.0       1.9
      42.0       8.0
      43.0       3.5
      44.0     100.0
      45.0       3.1
      55.0       1.3
      56.0       1.5
      57.0       1.0
      60.0       4.5
      69.0       1.1
      70.0       1.5
      83.0       1.0
      85.0       1.0
      97.0       1.7
      99.0       1.4
     113.0       1.6
     128.0       6.6
     143.0       2.9

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₂ N₂ O₄	0.038 g : 0.5 ml D₂O
DL-alanyl-DL-serine

    Assign.     Shift(ppm)

      A             4.323
      B             4.159
      C     *1      3.909
      D     *1      3.852
      E             1.585
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1731.69   4.334    180
   1727.91   4.324    233
   1725.46   4.318    223
   1721.56   4.308    172
   1672.85   4.186     95
   1665.77   4.169    262
   1658.69   4.151    256
   1651.61   4.133     86
   1573.00   3.936    120
   1569.09   3.927    131
   1561.40   3.907    282
   1557.50   3.898    257
   1546.26   3.870    288
   1539.92   3.854    263
   1534.67   3.841    136
   1528.32   3.825    109
    651.37   1.630     22
    650.27   1.628     25
    637.21   1.595   1000
    630.13   1.577    983

in D2O