13200-86-7

N-甲酰基-L-酪氨酸(13200-86-7)質(zhì)譜(MS)

產(chǎn)品名稱:N-甲?；?L-酪氨酸

CAS:13200-86-7

分子式:C10H11NO4

分子量: 209.2

InChI:InChI=1S/C10H11NO4/c12-6-11-9(10(14)15)5-7-1-3-8(13)4-2-7/h1-4,6,9,13H,5H2,(H,11,12)(H,14,15)/t9-/m0/s1

InChIKey: ROUWPHMRHBMAFE-VIFPVBQESA-N

Smiles:C(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC=O

Mass

MS-NW-2454          
N-formyl-L-tyrosine
C10H11NO4           (Mass of molecular ion:    209)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.3
      27.0       2.0
      28.0       5.4
      29.0       2.0
      39.0       3.4
      46.0       1.1
      51.0       2.9
      52.0       1.6
      53.0       2.4
      55.0       1.3
      63.0       1.3
      65.0       2.1
      68.0       1.4
      77.0      11.0
      78.0       2.7
      79.0       2.0
      91.0       4.1
      94.0       1.4
     107.0     100.0
     108.0       8.5
     118.0       1.7
     119.0       1.5
     135.0       1.0
     136.0       1.3
     147.0       2.9
     163.0       3.4
     164.0      43.4
     165.0       4.3
     209.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₄	0.041 g : 0.5 ml DMSO-d₆
N-formyl-L-tyrosine

    Assign.     Shift(ppm)

      A            12.
      B            10.
      C             8.31
      D             7.976
      E             7.008
      F             6.671
      G             4.443
      J     *1      2.959
      K     *1      2.764
     
     J(C,D)=1.1HZ
     J(C,G)=8.1HZ
     J(G,J)=4.9HZ
     J(G,K)=8.8HZ
     J(J,K)=-13.9HZ

     Hz     ppm     Int.

   3327.49   8.327    236
   3326.42   8.324    243
   3319.37   8.306    243
   3318.09   8.303    248
   3187.95   7.977    647
   2808.24   7.027    146
   2805.46   7.020    795
   2797.12   6.999    903
   2672.97   6.689    212
   2669.98   6.681   1000
   2663.36   6.665    352
   2661.44   6.660    930
   1787.04   4.472     95
   1781.91   4.459    122
   1778.49   4.451    207
   1773.58   4.438    208
   1769.95   4.429    129
   1765.03   4.417    103
   1193.21   2.986    165
   1188.30   2.974    168
   1179.32   2.951    229
   1174.41   2.939    221
   1115.22   2.791    232
   1106.46   2.769    235
   1101.33   2.756    182
   1092.35   2.734    170

in DMSO-d6