59-51-8

DL-蛋氨酸(59-51-8)质谱(MS)

产品名称:DL-蛋氨酸

CAS:59-51-8

分子式:C5H11NO2S

分子量: 149.21

InChI:InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

InChIKey: FFEARJCKVFRZRR-UHFFFAOYSA-N

Smiles:C(O)(=O)C(CCSC)N

Mass

MS-NW-1941          
DL-methionine
C5H11NO2S           (Mass of molecular ion:    149)

   Source Temperature: 220 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       3.2
      17.0       1.2
      18.0       5.6
      26.0       2.5
      27.0      12.7
      28.0      37.9
      29.0       9.1
      30.0      10.8
      35.0       8.8
      39.0       3.5
      41.0      13.1
      42.0      10.2
      43.0       5.7
      44.0       5.1
      45.0      14.3
      46.0       5.7
      47.0      18.8
      48.0       8.5
      49.0       4.8
      52.0       2.3
      53.0       1.3
      54.0       6.9
      55.0      26.5
      56.0      60.0
      57.0      12.0
      58.0       1.8
      59.0       4.5
      60.0       1.9
      61.0     100.0
      62.0       4.4
      63.0       4.5
      70.0       1.9
      73.0       1.3
      74.0      25.3
      75.0      35.6
      76.0       1.9
      77.0       1.6
      83.0      21.9
      84.0       2.3
      85.0       1.5
      86.0       2.2
      87.0       9.6
      88.0       8.9
      89.0       1.0
      99.0       1.2
     101.0      22.3
     102.0       2.6
     104.0      15.5
     114.0       6.6
     116.0      13.2
     117.0       1.3
     131.0      41.5
     132.0       6.2
     133.0       2.3
     149.0      13.7
     150.0       1.1

90 MHz in D2O

¹H NMR	89.56 MHz
C₅ H₁₁ N O₂ S	0.042 g : 0.5 ml D₂O
DL-methionine

    Assign.     Shift(ppm)

      B             3.861
      C             2.64
      D          2.23 to 2.090
      E             2.140
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    346.19   3.866     89
    345.75   3.861     82
    340.00   3.797     69
    246.19   2.749     56
    237.94   2.657    159
    230.81   2.578    130
    203.94   2.278     75
    198.50   2.217     95
    196.81   2.198    107
    191.69   2.141   1000
    188.25   2.102     80

in D2O