DL-Methionine(59-51-8) MS
Product NameDL-Methionine
CAS59-51-8
Molecular FormulaC5H11NO2S
Molecular Weight149.21
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey FFEARJCKVFRZRR-UHFFFAOYSA-N
SmilesC(O)(=O)C(CCSC)N
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MassMS-NW-1941 DL-methionine C5H11NO2S (Mass of molecular ion: 149)
Source Temperature: 220 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 3.2 17.0 1.2 18.0 5.6 26.0 2.5 27.0 12.7 28.0 37.9 29.0 9.1 30.0 10.8 35.0 8.8 39.0 3.5 41.0 13.1 42.0 10.2 43.0 5.7 44.0 5.1 45.0 14.3 46.0 5.7 47.0 18.8 48.0 8.5 49.0 4.8 52.0 2.3 53.0 1.3 54.0 6.9 55.0 26.5 56.0 60.0 57.0 12.0 58.0 1.8 59.0 4.5 60.0 1.9 61.0 100.0 62.0 4.4 63.0 4.5 70.0 1.9 73.0 1.3 74.0 25.3 75.0 35.6 76.0 1.9 77.0 1.6 83.0 21.9 84.0 2.3 85.0 1.5 86.0 2.2 87.0 9.6 88.0 8.9 89.0 1.0 99.0 1.2 101.0 22.3 102.0 2.6 104.0 15.5 114.0 6.6 116.0 13.2 117.0 1.3 131.0 41.5 132.0 6.2 133.0 2.3 149.0 13.7 150.0 1.1
90 MHz in D2O
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1H NMR 89.56 MHz C5 H11 N O2 S 0.042 g : 0.5 ml D2O DL-methionine 
Assign. Shift(ppm)
B 3.861 C 2.64 D 2.23 to 2.090 E 2.140 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.346.19 3.866 89 345.75 3.861 82 340.00 3.797 69 246.19 2.749 56 237.94 2.657 159 230.81 2.578 130 203.94 2.278 75 198.50 2.217 95 196.81 2.198 107 191.69 2.141 1000 188.25 2.102 80
in D2O
KBr disc
nujol mull
