4289-98-9

N-甲醯甲硫胺酸(4289-98-9)红外图谱(IR1)

产品名称:N-甲醯甲硫胺酸

CAS:4289-98-9

分子式:C6H11NO3S

分子量: 177.22

InChI:InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey: PYUSHNKNPOHWEZ-YFKPBYRVSA-N

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

Mass

MS-NW-2292          
N-formyl-L-methionine
C6H11NO3S           (Mass of molecular ion:    177)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      12.0       1.1
      14.0       2.3
      15.0       8.6
      16.0       1.5
      17.0       7.2
      18.0      36.2
      19.0       1.0
      25.0       1.5
      26.0      11.9
      27.0      31.6
      28.0      59.1
      29.0      14.7
      30.0       9.1
      31.0       1.1
      32.0       2.0
      33.0       1.9
      34.0       2.4
      35.0      10.8
      37.0       2.4
      38.0       3.4
      39.0      14.9
      40.0       5.7
      41.0      29.8
      42.0      13.8
      43.0       4.6
      44.0      28.3
      45.0      37.5
      46.0      17.0
      47.0      52.2
      48.0      29.1
      49.0       6.6
      50.0       2.1
      51.0       3.0
      52.0       7.5
      53.0       6.6
      54.0      19.6
      55.0      16.7
      56.0      38.4
      57.0      16.8
      58.0       2.7
      59.0       8.2
      60.0       3.8
      61.0     100.0
      62.0      23.1
      63.0       5.5
      64.0       2.1
      66.0       2.0
      67.0       4.4
      68.0       3.1
      69.0       1.1
      70.0       8.5
      71.0       3.6
      72.0       3.1
      73.0       3.7
      74.0      16.7
      75.0      90.3
      76.0       4.7
      77.0       4.6
      83.0       9.4
      84.0      22.6
      85.0      85.1
      86.0      10.7
      87.0       9.0
      88.0      13.1
      89.0       1.9
      90.0       1.0
      98.0      17.4
      99.0       3.3
     100.0       2.7
     101.0       2.1
     102.0       4.2
     103.0      72.5
     104.0       5.7
     111.0       7.4
     112.0       2.7
     113.0       1.2
     114.0       5.2
     115.0       3.0
     116.0      16.9
     117.0       2.9
     129.0       1.6
     130.0       5.9
     131.0       4.0
     132.0       3.7
     159.0       4.8
     177.0      23.9
     178.0       1.7
     179.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₁ N O₃ S	0.040 g : 0.5 ml DMSO-d₆
N-formyl-L-methionine

    Assign.     Shift(ppm)

      A             8.41
      B             8.056
      C             4.39
      D             3.37
      E             2.46
      F             2.040
      G     *1      1.978
      J     *1      1.848
     
     D-PEAK INCLUDES H2O.

     Hz     ppm     Int.

   3365.33   8.421     52
   3357.24   8.401     52
   3219.91   8.057    166
   1755.68   4.394     55
   1751.10   4.382     54
   1348.42   3.375    693
    993.65   2.487    148
    990.30   2.478    110
    986.48   2.469    124
    979.00   2.450     64
    815.58   2.041   1000

in DMSO-d6