S-Methyl-L-cysteine(1187-84-4) Raman
Product NameS-Methyl-L-cysteine
CAS1187-84-4
Molecular FormulaC4H9NO2S
Molecular Weight135.18
InChIInChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey IDIDJDIHTAOVLG-VKHMYHEASA-N
SmilesC(O)(=O)[C@H](CSC)N
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MassMS-NW-4973 S-methyl-L-cysteine C4H9NO2S (Mass of molecular ion: 135)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 1.1 15.0 7.8 17.0 1.1 18.0 4.9 19.0 1.3 27.0 8.9 28.0 31.6 29.0 2.6 30.0 12.0 35.0 11.1 40.0 1.5 41.0 5.4 42.0 20.0 43.0 36.1 44.0 9.0 45.0 10.8 46.0 10.5 47.0 11.8 48.0 3.7 49.0 1.0 56.0 1.6 57.0 1.5 58.0 1.5 59.0 1.6 60.0 1.2 61.0 100.0 62.0 71.6 63.0 6.5 64.0 3.4 70.0 1.0 73.0 2.4 74.0 58.3 75.0 8.5 87.0 11.7 88.0 1.3 89.0 1.2 90.0 37.7 91.0 1.8 92.0 1.7 103.0 1.1 118.0 3.9 135.0 30.2 136.0 2.0 137.0 1.6
400 MHz in D2O
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1H NMR 399.65 MHz C4 H9 N O2 S 0.035 g : 0.5 ml D2O S-methyl-L-cysteine 
Assign. Shift(ppm)
A 3.947 B *1 3.098 C *1 3.013 D 2.162 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1583.50 3.963 71 1579.22 3.952 78 1575.81 3.943 85 1571.53 3.933 75 1250.49 3.129 42 1246.22 3.119 46 1235.72 3.093 95 1231.45 3.082 90 1212.77 3.035 90 1205.08 3.016 86 1197.88 2.998 42 1190.19 2.979 42 864.26 2.163 1000
in D2O
KBr disc
nujol mull
