1115-47-5

N-乙酰-DL-蛋氨酸(1115-47-5)质谱(MS)

产品名称:N-乙酰-DL-蛋氨酸

CAS:1115-47-5

分子式:C7H13NO3S

分子量: 191.25

InChI:InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N

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

Mass

MS-NW-4759          
N-acetyl-DL-methionine
C7H13NO3S           (Mass of molecular ion:    191)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.2
      15.0       9.7
      17.0       2.0
      18.0      10.9
      26.0       1.1
      27.0       8.6
      28.0      17.0
      29.0       3.1
      30.0       5.4
      35.0       4.9
      39.0       3.7
      40.0       1.0
      41.0      10.6
      42.0       8.6
      43.0      90.6
      44.0      10.6
      45.0       8.8
      46.0       3.8
      47.0      10.9
      48.0       3.2
      49.0       3.0
      54.0       4.1
      55.0       5.8
      56.0      43.2
      57.0      37.0
      58.0       2.0
      59.0       3.6
      60.0       7.4
      61.0      55.1
      62.0       4.6
      63.0       2.7
      68.0       1.9
      70.0       1.8
      71.0       9.1
      72.0       1.9
      73.0       2.6
      74.0      25.8
      75.0      45.1
      76.0       2.0
      77.0       1.9
      83.0       4.2
      84.0       4.5
      85.0       2.0
      86.0       3.8
      87.0       6.2
      88.0      21.6
      89.0       1.5
      97.0       1.3
      98.0       6.4
      99.0     100.0
     100.0      10.7
     101.0       3.4
     102.0      10.4
     103.0       1.0
     104.0       9.4
     112.0      15.5
     113.0       1.2
     114.0       3.1
     116.0       3.7
     117.0      96.9
     118.0       5.2
     125.0       3.0
     130.0      19.5
     131.0       5.9
     132.0       2.6
     144.0       6.8
     146.0       1.1
     148.0       3.8
     149.0       1.3
     173.0       5.1
     191.0      31.3
     192.0       3.1
     193.0       1.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₃ N O₃ S	0.040 g : 0.5 ml DMSO-d₆
N-acetyl-DL-methionine

    Assign.     Shift(ppm)

      A             8.16
      B             4.284
      C             2.48
      D             2.040
      E     *1      1.93
      F             1.850
      G     *1      1.82
     
     SIGNAL C OVERLAPPED BY SOLVENT PEAKS

     Hz     ppm     Int.

   3263.11   8.165     53
   3255.42   8.146     54
   1715.17   4.292     30
   1714.07   4.289     35
   1710.78   4.281     33
   1709.49   4.278     31
   1005.77   2.517     43
   1003.94   2.513     56
   1001.92   2.507     70
    996.24   2.493     68
    992.95   2.485     50
    988.37   2.474     74
    981.22   2.456     40
    815.64   2.041   1000
    771.50   1.931     30
    739.63   1.851    712
    732.30   1.833     37

in DMSO-d6