Product NameN-ACETYLMURAMIC ACID
CAS10597-89-4
Molecular FormulaC11H19NO8
Molecular Weight293.27
InChIInChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4?,6-,7-,8-,9-,11+/m1/s1
InChIKey MNLRQHMNZILYPY-IWLMJBTDSA-N
SmilesC(O)(=O)C(O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H]1O)C

Mass
MS-IW-2321 (+)-N-acetylmuramic acid C11H19NO8 (Mass of molecular ion: 293)
Source Temperature: 140 °C Sample Temperature: 170 °C Direct, 75 eV
14.0 1.4
15.0 5.3
17.0 3.8
18.0 17.4
19.0 5.2
26.0 2.0
27.0 9.1
28.0 5.4
29.0 14.1
30.0 1.9
31.0 3.5
32.0 1.0
39.0 1.6
41.0 3.4
42.0 7.6
43.0 51.3
44.0 10.5
45.0 100.0
46.0 3.6
47.0 1.0
53.0 1.3
54.0 1.3
55.0 2.8
56.0 3.1
57.0 1.2
58.0 1.3
59.0 7.7
60.0 20.6
61.0 1.2
68.0 1.5
69.0 2.0
70.0 1.4
71.0 1.0
72.0 6.1
73.0 1.3
74.0 1.0
75.0 1.1
80.0 1.1
81.0 1.7
83.0 2.4
84.0 3.7
85.0 2.1
86.0 1.3
87.0 1.3
96.0 3.7
97.0 3.5
98.0 2.2
100.0 2.0
101.0 1.9
108.0 1.0
109.0 1.0
112.0 1.7
113.0 1.0
114.0 6.5
115.0 1.0
125.0 4.1
126.0 2.6
138.0 1.2
142.0 1.3
143.0 1.0
144.0 1.3
157.0 1.0
167.0 1.1
186.0 1.9
KBr disc


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