4434-61-1

Cbz-DL-蛋氨酸(4434-61-1)质谱(MS)

分子式:C13H17NO4S

分子量: 283.34

InChI:InChI=1S/C13H17NO4S/c1-19-8-7-11(12(15)16)14-13(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1

InChIKey: FPKHNNQXKZMOJJ-NSHDSACASA-N

Smiles:C(O)(=O)[C@H](CCSC)NC(OCC1=CC=CC=C1)=O

¹³CNMR

IR1

Mass

MS-NW-2455          
N-benzyloxycarbonyl-DL-methionine
C13H17NO4S          (Mass of molecular ion:    283)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       2.6
      18.0       5.1
      26.0       3.1
      27.0      17.5
      28.0      24.5
      29.0       4.9
      30.0       2.2
      31.0       3.0
      35.0       6.0
      37.0       1.8
      38.0       3.5
      39.0      16.9
      40.0       2.1
      41.0      19.4
      42.0       3.9
      43.0       1.6
      44.0       6.1
      45.0      14.5
      46.0       8.4
      47.0      22.5
      48.0       9.9
      49.0       5.9
      50.0       8.8
      51.0      19.8
      52.0       6.2
      53.0       5.4
      53.5       1.2
      54.0      10.7
      55.0       7.1
      56.0      24.1
      57.0       2.7
      58.0       1.8
      59.0       5.6
      60.0       2.7
      61.0      62.6
      62.0      20.0
      63.0       9.1
      64.0       2.2
      65.0      15.0
      66.0       1.0
      68.0       1.4
      71.0       1.1
      73.0       4.2
      74.0      15.3
      75.0      52.2
      76.0       3.7
      77.0      42.6
      78.0       9.8
      79.0      88.1
      80.0       9.3
      82.0       3.5
      83.0       8.6
      84.0       7.9
      85.0       3.1
      86.0       5.2
      87.0       5.7
      88.0       5.2
      89.0       7.7
      90.0       9.0
      91.0     100.0
      92.0       9.4
      96.0       2.7
      99.0       2.3
     100.0      12.8
     101.0       9.8
     102.0       5.8
     103.0       1.9
     104.0       2.2
     105.0       3.6
     107.0      56.4
     108.0      70.6
     109.0       5.9
     112.0       1.1
     114.0       7.6
     116.0       3.1
     118.0       2.3
     127.0       5.0
     129.0      34.5
     130.0       2.8
     131.0      36.4
     132.0       3.1
     133.0       2.2
     138.0       1.1
     146.0       2.6
     148.0      19.1
     149.0       1.6
     157.0       5.0
     175.0      31.9
     176.0       2.8
     177.0       1.5
     192.0       3.8
     209.0       3.2
     283.0       2.2

in CDCl3