1027-28-7

N-Acetyl-3,5-diiodo-L-tyrosine(1027-28-7) IR2

Product NameN-Acetyl-3,5-diiodo-L-tyrosine

Molecular FormulaC11H11I2NO4

Molecular Weight475.02

InChIInChI=1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1

InChIKey CDXURJOCZAIXFK-VIFPVBQESA-N

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

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IR1

IR2

N-Acetyl-3,5-diiodo-L-tyrosine(1027-28-7) IR2
Mass

MS-IW-3072          
N-acetyl-3,5-diiodotyrosine
C11H11I2NO4         (Mass of molecular ion:    475)

   Source Temperature: 150 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.4
      28.0       4.5
      30.0       1.1
      39.0       1.3
      42.0       1.5
      43.0      34.2
      44.0       4.5
      50.0       3.8
      51.0       6.8
      52.0       1.5
      53.0       3.7
      57.0       1.3
      60.0      27.2
      61.0       1.1
      62.0       1.5
      63.0       2.0
      63.5       1.2
      74.0      12.2
      75.0       2.4
      76.0       8.0
      77.0       7.0
      78.0       3.8
      79.0       1.4
      88.0       1.0
      89.0       1.6
      99.0       2.8
     104.0       2.9
     105.0       9.9
     106.0       5.7
     107.0       2.6
     117.0       1.5
     118.0       1.2
     127.0      10.0
     128.0      17.1
     133.0       2.9
     134.0       3.9
     135.0       1.4
     162.0       2.9
     231.0       1.5
     232.0      10.0
     233.0      15.6
     234.0       2.0
     254.0       1.8
     259.0       1.0
     260.0       1.8
     261.0       3.6
     289.0       1.6
     290.0      16.0
     291.0       1.7
     349.0       1.3
     359.0      53.2
     360.0       4.8
     372.0       2.3
     387.0       3.2
     388.0       3.1
     399.0       1.3
     415.0       2.3
     416.0     100.0
     417.0      10.2
     418.0       1.1
     429.0       2.4
     444.0       1.2
     475.0      13.5
     476.0       1.7

KBr disc