L-ALANYL-L-TYROSINE(3061-88-9) MS
Product NameL-ALANYL-L-TYROSINE
CAS3061-88-9
Molecular FormulaC12H16N2O4
Molecular Weight252.27
InChIInChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
InChIKey ALZVPLKYDKJKQU-XVKPBYJWSA-N
SmilesC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)N
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MassMS-IW-4937 L-alanyl-L-tyrosine C12H16N2O4 (Mass of molecular ion: 252)
Source Temperature: 180 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 1.7 18.0 8.8 27.0 1.9 28.0 3.9 39.0 1.8 42.0 2.1 43.0 1.3 44.0 29.6 45.0 1.0 51.0 1.9 52.0 1.3 53.0 1.5 55.0 1.5 57.0 1.0 65.0 1.4 77.0 6.7 78.0 2.3 79.0 1.6 85.0 1.5 89.0 5.0 91.0 2.2 99.0 1.6 106.0 2.5 107.0 100.0 108.0 10.7 113.0 8.5 119.0 1.1 120.0 1.2 128.0 62.2 129.0 4.4 135.0 1.1 136.0 1.2 147.0 1.2 164.0 1.4 209.0 1.0 234.0 10.8 235.0 1.6
400 MHz in D2O
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1H NMR 399.65 MHz C12 H16 N2 O4 saturated in D2O L-alanyl-L-tyrosine 
Assign. Shift(ppm)
A 7.168 B 6.857 C 4.405 D 3.987 E *1 3.121 F *1 2.914 G 1.498
Hz ppm Int.2871.83 7.186 59 2868.90 7.179 428 2866.94 7.174 160 2862.43 7.163 169 2860.35 7.158 491 2857.42 7.150 60 2747.44 6.875 75 2744.51 6.868 588 2742.43 6.863 186 2738.04 6.852 172 2735.96 6.846 512 2732.91 6.839 54 1767.82 4.424 124 1762.45 4.410 148 1759.03 4.402 160 1756.35 4.395 33 1753.78 4.389 132 1604.13 4.014 80 1597.05 3.997 303 1589.97 3.979 307 1582.76 3.961 85 1258.67 3.150 95 1253.42 3.137 98 1244.51 3.115 133 1239.26 3.101 126 1175.05 2.941 141 1166.26 2.919 140 1161.01 2.906 108 1152.22 2.884 103 602.54 1.508 995 595.46 1.490 1000
in D2O
KBr disc
nujol mull
