DL-甲状腺素(300-30-1)质谱(MS)
分子式:C15H11I4NO4
分子量: 776.87
InChI:InChI=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
Smiles:C(O)(=O)[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)N
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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