1190-48-3

NΕ-甲?；?L-賴氨酸(1190-48-3)核磁圖(¹HNMR)

產(chǎn)品名稱:NΕ-甲酰基-L-賴氨酸

CAS:1190-48-3

分子式:C7H14N2O3

分子量: 174.2

InChI:InChI=1S/C7H14N2O3/c8-6(7(11)12)3-1-2-4-9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1

InChIKey: KLPJXDPPMSJWKI-LURJTMIESA-N

Smiles:C(O)(=O)[C@H](CCCCNC=O)N

Mass

MS-NW-2477          
N(epsilon)-formyl-L-lysine
C7H14N2O3           (Mass of molecular ion:    174)

   Source Temperature: 240 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      15.0       3.1
      16.0       1.5
      17.0       6.8
      18.0      33.1
      26.0       3.3
      27.0      13.4
      28.0      37.8
      29.0       9.0
      30.0      65.5
      31.0       1.2
      38.0       1.2
      39.0       9.1
      40.0       2.8
      41.0      20.8
      42.0      17.3
      43.0      27.8
      44.0      11.4
      45.0       2.6
      46.0       9.3
      50.0       1.1
      51.0       1.7
      52.0       2.7
      53.0       3.9
      54.0      10.1
      55.0      15.9
      56.0      49.8
      57.0       9.9
      58.0      19.6
      59.0       8.4
      60.0       1.1
      65.0       1.4
      66.0       2.3
      67.0       8.7
      68.0       4.7
      69.0       5.7
      70.0      13.2
      71.0       4.8
      72.0      14.1
      73.0       8.9
      74.0      11.2
      75.0       2.7
      79.0       1.7
      80.0       2.5
      81.0       2.2
      82.0      12.7
      83.0      15.4
      84.0      58.7
      85.0       4.2
      86.0       3.0
      87.0       1.2
      89.0       1.9
      93.0       2.4
      94.0       1.7
      95.0       1.2
      97.0       1.2
      98.0       2.0
      99.0       4.5
     100.0      12.4
     101.0       5.0
     103.0       1.0
     109.0       1.9
     110.0       2.8
     111.0       6.3
     112.0     100.0
     113.0       8.1
     127.0       2.2
     128.0       6.8
     129.0       3.8
     138.0       1.8
     156.0       1.7

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₄ N₂ O₃	0.042 g : 0.5 ml D₂O
N(epsilon)-formyl-L-lysine

    Assign.     Shift(ppm)

      A             8.040
      B             3.745
      C             3.257
      D             1.89
      E             1.589
      F             1.424

     Hz     ppm     Int.

   3213.26   8.041   1000
   1502.81   3.761    373
   1497.07   3.746    501
   1496.34   3.745    588
   1490.60   3.730    393
   1308.59   3.275    467
   1301.76   3.258    902
   1294.80   3.240    467
    768.31   1.923    170
    761.96   1.907    357
    755.86   1.892    345
    751.71   1.881    441
    749.51   1.876    214
    745.85   1.867    395
    739.01   1.850    185
    731.45   1.831     72
    651.12   1.630    101
    650.27   1.628    102
    642.94   1.609    385
    635.74   1.591    670
    628.66   1.574    595
    621.70   1.556    223
    589.11   1.475    123
    585.69   1.466     84
    581.91   1.457    194
    579.35   1.450    188
    575.44   1.440    197
    572.63   1.433    340
    568.60   1.423    188
    565.43   1.415    268
    563.96   1.412    214
    559.81   1.401    146
    557.98   1.397    140
    556.88   1.394    138
    556.15   1.392    140
    553.59   1.386    118
    550.66   1.378     76
    547.24   1.370     83

KBr disc