1999-34-4

甘氨酰-DL-甲硫氨酸(1999-34-4)核磁图(¹HNMR)

产品名称:甘氨酰-DL-甲硫氨酸

CAS:1999-34-4

分子式:C7H14N2O3S

分子量: 206.26

InChI:InChI=1S/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1

InChIKey: PFMUCCYYAAFKTH-YFKPBYRVSA-N

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

Mass

MS-NW-2158          
glycyl-DL-methionine
C7H14N2O3S          (Mass of molecular ion:    206)

   Source Temperature: 210 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      14.0       1.5
      15.0       4.1
      16.0       1.1
      17.0       6.7
      18.0      31.9
      26.0       4.7
      27.0      14.4
      28.0      28.1
      29.0       9.0
      30.0     100.0
      31.0       4.9
      32.0       1.1
      34.0       1.6
      35.0       4.6
      38.0       1.5
      39.0       6.6
      40.0       3.4
      41.0      13.3
      42.0       6.9
      43.0       4.3
      44.0      18.3
      45.0      17.0
      46.0       7.1
      47.0      27.1
      48.0      20.6
      49.0       2.7
      50.0       1.4
      51.0       1.4
      52.0       2.9
      53.0       2.8
      54.0       7.6
      55.0       6.9
      56.0      21.2
      57.0      14.3
      58.0       1.9
      59.0       4.0
      60.0       1.2
      61.0      37.5
      62.0       9.6
      63.0       2.1
      64.0       1.0
      66.0       1.3
      67.0       3.7
      68.0       4.3
      69.0       2.8
      70.0       1.4
      71.0       1.0
      72.0       1.0
      73.0       2.3
      74.0       5.5
      75.0      10.8
      82.0       1.5
      83.0       2.9
      84.0       3.7
      85.0       8.8
      86.0       6.1
      87.0       3.8
      88.0       4.5
      93.0       1.1
      94.0       1.3
      95.0       1.4
      96.0       1.4
      97.0       2.1
      98.0       1.3
      99.0       8.8
     100.0       2.3
     101.0       2.7
     102.0       2.6
     103.0       1.2
     104.0       5.8
     110.0       1.1
     111.0       1.5
     112.0       1.8
     113.0       3.0
     114.0      78.8
     115.0       7.2
     116.0       2.2
     126.0       1.1
     127.0      15.4
     128.0       1.3
     129.0       1.5
     131.0       2.8
     132.0      29.2
     133.0       2.1
     134.0       1.0
     140.0       4.2
     141.0       1.2
     143.0       1.4
     145.0       6.1
     150.0       1.9
     158.0       1.2
     159.0       1.2
     160.0       1.1
     176.0       2.3
     188.0      16.2
     189.0       1.8
     206.0       4.6

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₄ N₂ O₃ S	saturated in D₂O
glycyl-DL-methionine

    Assign.     Shift(ppm)

      A             4.322
      B             3.86
      C     *1      2.58
      D     *1      2.54
      E     *2      2.13
      F             2.110
      G     *2      1.962

     Hz     ppm     Int.

   1734.38   4.340     41
   1729.86   4.329     44
   1725.34   4.318     46
   1720.83   4.306     42
   1541.87   3.859    271
   1540.28   3.855    273
   1037.84   2.597     42
   1032.47   2.584     44
   1028.93   2.575     57
   1028.20   2.573     52
   1023.68   2.562     44
   1020.63   2.554     55
   1019.65   2.552     57
   1012.33   2.534     44
    850.71   2.129     30
    843.38   2.111   1000
    838.87   2.100     33
    787.48   1.971     40
    778.81   1.949     37

in D2O