S-Carboxymethyl-L-Cysteine(638-23-3) IR2
Molecular FormulaC5H9NO4S
Molecular Weight179.19
InChIInChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey GBFLZEXEOZUWRN-VKHMYHEASA-N
SmilesC(O)(=O)[C@H](CSCC(O)=O)N
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![](https://www.chemicalbook.com/Spectrum/638-23-3_MS.gif)
Mass
MS-NW-1180
S-carboxymethyl-L-cysteine
C5H9NO4S (Mass of molecular ion: 179)
Source Temperature: 230 °C
Sample Temperature: 220 °C
Direct, 75 eV
12.0 1.2
13.0 1.9
14.0 6.7
15.0 22.8
16.0 3.6
17.0 5.8
18.0 25.4
25.0 1.0
26.0 4.9
27.0 15.4
28.0 38.6
29.0 7.5
30.0 13.1
31.0 4.6
32.0 1.8
33.0 4.3
34.0 3.5
35.0 2.1
38.0 2.7
39.0 4.7
40.0 10.7
41.0 28.9
42.0 100.0
43.0 26.6
44.0 39.0
45.0 63.0
46.0 71.9
47.0 90.3
48.0 8.8
49.0 4.0
53.0 1.2
54.0 4.1
55.0 7.9
56.0 1.9
57.0 1.8
58.0 3.3
59.0 15.2
60.0 11.3
61.0 41.6
62.0 2.1
63.0 2.6
64.0 2.1
67.0 1.6
68.0 10.2
69.0 5.7
70.0 4.4
71.0 1.2
72.0 3.5
73.0 7.4
74.0 32.0
75.0 5.2
76.0 1.1
77.0 2.5
84.0 1.0
86.0 4.1
87.0 13.9
88.0 36.5
89.0 2.6
90.0 1.9
92.0 40.3
93.0 1.4
94.0 2.0
98.0 1.2
100.0 2.0
103.0 1.1
106.0 1.3
107.0 1.7
113.0 1.7
115.0 4.0
116.0 31.0
117.0 3.6
118.0 2.4
133.0 1.0
134.0 2.0
161.0 45.8
162.0 3.0
163.0 2.4