N-FORMYL-L-METHIONINE(4309-82-4) ¹H NMR

Product NameN-FORMYL-L-METHIONINE

CAS 4309-82-4

Molecular FormulaC6H11NO3S

Molecular Weight177.22

InChIInChI=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

SmilesC(O)(=O)[C@H](CCSC)NC=O

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Mass

MS-NW-1194          
N-formyl-DL-methionine
C6H11NO3S           (Mass of molecular ion:    177)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       3.2
      18.0       2.8
      19.0       1.2
      26.0       1.6
      27.0      15.9
      28.0      47.6
      29.0      10.6
      30.0       8.5
      35.0       9.6
      39.0       6.5
      40.0       1.0
      41.0      19.9
      42.0      12.6
      43.0       3.9
      44.0       5.2
      45.0      17.5
      46.0      10.1
      47.0      21.5
      48.0       5.5
      49.0       5.5
      52.0       1.0
      54.0       7.6
      55.0       8.9
      56.0      34.4
      57.0      17.0
      58.0       2.1
      59.0       6.0
      60.0       2.4
      61.0      85.3
      62.0      23.0
      63.0       4.4
      64.0       1.0
      68.0       1.0
      70.0       8.7
      71.0       1.8
      72.0       2.2
      73.0       2.3
      74.0      13.1
      75.0     100.0
      76.0       4.3
      77.0       4.8
      83.0       5.9
      84.0      17.8
      85.0      83.6
      86.0       7.6
      87.0       8.2
      88.0      12.5
      89.0       1.2
      98.0      12.4
      99.0       2.6
     100.0       2.1
     101.0       1.6
     102.0       3.8
     103.0      79.1
     104.0       6.4
     111.0       7.2
     112.0       1.9
     114.0       4.1
     116.0      16.7
     117.0       2.4
     129.0       1.3
     130.0       7.0
     131.0       2.1
     132.0       3.8
     159.0       1.5
     177.0      23.8
     178.0       1.9
     179.0       1.2