DL-THYROXINE(300-30-1) MS

Molecular FormulaC15H11I4NO4

Molecular Weight776.87

InChIInChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1

InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N

SmilesC(O)(=O)[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)N

Request For Quotation

IR1

IR2

Mass

MS-IW-3541          
O(4)-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine
C15H11I4NO4         (Mass of molecular ion:    777)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      18.0       3.3
      28.0       2.0
      30.0     100.0
      31.0       1.7
      39.0       1.0
      44.0      14.9
      50.0       1.6
      51.0       2.2
      53.0       3.9
      62.0       4.1
      63.0       4.5
      63.5       1.0
      64.0       1.3
      74.0       5.8
      75.0       1.2
      76.0       5.0
      77.0       1.4
      79.0       1.1
      87.0       1.0
      88.0       2.0
      89.0       2.1
      90.0       1.3
      91.0       5.2
      92.0       1.9
     127.0      12.8
     128.0      16.8
     138.0       1.2
     139.0       5.0
     140.0       1.3
     167.0       1.2
     168.0       1.7
     169.0       1.4
     195.0       1.0
     196.0       1.9
     197.0       1.0
     203.0       1.3
     218.0       2.6
     231.0       1.4
     232.0       1.0
     254.0      12.5
     294.0       1.3
     295.0       1.1
     322.0       2.7
     323.0       3.6
     324.0       1.8
     359.0       2.0
     422.0       1.1
     449.0       3.2
     450.0       2.5
     577.0       1.2
     578.0       1.5
     607.0       3.5
     703.0       1.2
     704.0       2.0
     733.0       8.9
     734.0       1.3

KBr disc

nujol mull

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