DL-ALANYL-DL-SERINE(3062-19-9) MS
Product NameDL-ALANYL-DL-SERINE
CAS3062-19-9
Molecular FormulaC6H12N2O4
Molecular Weight176.17
InChIInChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKey IPWKGIFRRBGCJO-IMJSIDKUSA-N
SmilesC(O)(=O)[C@H](CO)NC(=O)[C@H](C)N
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MassMS-NW-2283 DL-alanyl-DL-serine C6H12N2O4 (Mass of molecular ion: 176)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 2.5 17.0 1.7 18.0 9.5 27.0 2.1 28.0 6.8 29.0 1.4 30.0 1.8 31.0 1.3 41.0 1.9 42.0 8.0 43.0 3.5 44.0 100.0 45.0 3.1 55.0 1.3 56.0 1.5 57.0 1.0 60.0 4.5 69.0 1.1 70.0 1.5 83.0 1.0 85.0 1.0 97.0 1.7 99.0 1.4 113.0 1.6 128.0 6.6 143.0 2.9
400 MHz in D2O
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1H NMR 399.65 MHz C6 H12 N2 O4 0.038 g : 0.5 ml D2O DL-alanyl-DL-serine 
Assign. Shift(ppm)
A 4.323 B 4.159 C *1 3.909 D *1 3.852 E 1.585 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1731.69 4.334 180 1727.91 4.324 233 1725.46 4.318 223 1721.56 4.308 172 1672.85 4.186 95 1665.77 4.169 262 1658.69 4.151 256 1651.61 4.133 86 1573.00 3.936 120 1569.09 3.927 131 1561.40 3.907 282 1557.50 3.898 257 1546.26 3.870 288 1539.92 3.854 263 1534.67 3.841 136 1528.32 3.825 109 651.37 1.630 22 650.27 1.628 25 637.21 1.595 1000 630.13 1.577 983
in D2O
KBr disc
nujol mull
