3786-08-1

N-乙?；?L-苯丙氨?；?3,5-二碘-L-酪氨酸(3786-08-1)質(zhì)譜(MS)

分子式:C20H20I2N2O5

分子量: 622.19

InChI:InChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1

InChIKey: DWIHCEZUWCRUES-IRXDYDNUSA-N

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

IR1

IR2

Mass

MS-NW-9109          
(+)-N-(N-acetyl-L-phenylalanyl)-3,5-diiodo-L-tyrosine
C20H20I2N2O5        (Mass of molecular ion:    622)

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

      15.0       1.3
      17.0       3.4
      18.0      19.1
      27.0       1.3
      28.0       6.2
      30.0       5.0
      39.0       2.3
      41.0       1.2
      42.0       2.9
      43.0      33.7
      44.0      11.1
      50.0       1.4
      51.0       3.8
      52.0       1.3
      53.0       1.5
      57.0       3.1
      60.0       1.8
      63.0       1.8
      63.5       1.8
      64.0       1.6
      65.0       5.6
      72.0       1.4
      73.0       1.8
      74.0       7.5
      75.0       1.5
      76.0       2.5
      77.0       7.6
      78.0       4.3
      79.0       1.7
      85.0      11.7
      89.0       2.5
      90.0       1.8
      91.0      63.8
      92.0       6.8
      93.0       2.5
      99.0       1.3
     102.0       1.2
     103.0      10.1
     104.0      11.0
     105.0       5.6
     106.0       5.5
     107.0       7.9
     108.0       1.1
     113.0       1.5
     116.0       1.1
     117.0       3.9
     118.0       5.7
     119.0       6.6
     120.0     100.0
     121.0      10.2
     127.0      25.6
     128.0      50.6
     130.0       1.6
     131.0       9.9
     132.0       2.6
     133.0       2.3
     134.0       2.3
     135.0       3.7
     136.0       1.1
     144.0       1.4
     145.0       1.7
     146.0       2.6
     147.0       4.5
     148.0      24.7
     149.0       2.9
     160.0       1.5
     161.0       5.6
     162.0      42.4
     163.0       6.6
     164.0       2.8
     165.0       2.1
     186.0       5.0
     187.0       3.6
     188.0       1.3
     189.0       8.5
     190.0      52.2
     191.0       6.9
     204.0       3.3
     205.0       2.3
     207.0      53.8
     208.0       7.2
     232.0       2.7
     233.0      16.4
     234.0       2.2
     245.0       1.1
     246.0       1.8
     254.0      11.1
     260.0       1.1
     261.0      11.2
     262.0       3.9
     264.0       2.6
     290.0      10.3
     291.0       1.2
     359.0      12.5
     360.0       3.0
     363.0       1.8
     387.0      12.5
     388.0       2.9
     416.0       4.2

KBr disc