13C Chemical Shifts Sorted by Compound Name

ShiftCompound
182.1 Acetate C1[d]
182.6 Acetate C1[g]
24.2 Acetate C2[d]
24.5 Acetate C2[g]
24.6 Acetate C2[w]
175 Acetoacetate C1[e]
175.5 Acetoacetate C1[d]
175.7 Acetoacetate C1[g]
54.2 Acetoacetate C2[d]
54.5 Acetoacetate C2[g]
210.9 Acetoacetate C3[g]
211 Acetoacetate C3[d]
30.5 Acetoacetate C4[d]
30.7 Acetoacetate C4[g]
30.5 Acetyl-CoA C2[g]
21.5 Acetylcarnitine -(CH3)[d]
54.7 Acetylcarnitine -N(CH3)3 [d]
176.3 Alanine C1[d]
176.7 Alanine C1[g]
51.5 Alanine C2[w]
51.7 Alanine C2[g]
51.9 Alanine C2[d]
17.3 Alanine C3[d,g]
17.4 Alanine C3[w]
34.8 b-Alanine C2[w]
37.8 b-Alanine C3[w]
55.8 Arginine C2[w]
28.9 Arginine C3[w]
25.5 Arginine C4[w]
41.8 Arginine C5[w]
157.7 Arginine C6[w]
175 Aspartate C1[d]
175.3 Aspartate C1[g]
52.7 Aspartate C2[d]
53.4 Aspartate C2[g]
37.4 Aspartate C3[d]
37.8 Aspartate C3[g]
178.3 Aspartate C4[d]
178.5 Aspartate C4[g]
160 Bicarbonate C1[e]
160.8 Bicarbonate C1[d]
161.8 Bicarbonate C1[g]
184 Butyrate C1[e]
19.4 Butyrate C3[e]
128.73 =*CH-CH2-CH=[f]
27.95 -CH2-*CH2-CH=CH-[f]
34.46 -CH2-*CH2-CO-[f]
172.43 -CH2-CH2-*CO-[f]
25.6 -*CH2-CH2-CO-[f]
14.73 CH3-CH2-[f]
32.76 CH3-CH2-*CH2-CH2-[f]
130.25 -CH=*CH-CH2-CH2-[f]
26.43 -CH=CH-*CH2-CH=CH-[f]
163.8 Carbamino group C1[g]
45 Citrate (Mg2 citrate) C2[d]
174.2 Citrate C1,C5[j]
179.7 Citrate C1,C5[g]
180 Citrate C1,C5[d]
44.1 Citrate C2,C4[j]
46.6 Citrate C2,C4[d]
46.8 Citrate C2,C4[g]
74.2 Citrate C3[j]
76 Citrate C3[g]
76.1 Citrate C3[d]
177.5 Citrate C6[j]
182.3 Citrate C6[g]
186.7 Citrate C6[d]
174.5 2,3-Cyclopyrophosphoglycerate C1[g]
78.6 2,3-Cyclopyrophosphoglycerate C2[g]
70.1 2,3-Cyclopyrophosphoglycerate C3[g]
54.7 Cystine C2[w]
40.6 Cystine C3[w]
65.1 DHAP (hydrate) C1[g]
96 DHAP (hydrate) C2[g]
67 DHAP (hydrate) C3[g]
66.5 DHAP (keto) C1[g]
212.6 DHAP (keto) C2[g]
68.5 DHAP (keto) C3[g]
67.4 Dioxane
52 EDTA (ac) C3[d]
58.2 EDTA (en) C2[d]
175.6 EDTA C1[d]
58.6 Ethanol C1[g]
17.4 Ethanol C2[j]
18 Ethanol C2[g]
83.2 Formaldehyde (hydrate) C1[g]
171.4 Formate C1[g]
172.2 Formate C1[w]
65.4 a-Fructose 1,6-diP C1[g]
105.9 a-Fructose 1,6-diP C2[g]
82.6 a-Fructose 1,6-diP C3[g]
77.8 a-Fructose 1,6-diP C4[g]
82.9 a-Fructose 1,6-diP C5[g]
64.4 a-Fructose 1,6-diP C6[g]
66.9 b-Fructose 1,6-diP C1[g]
102 b-Fructose 1,6-diP C2[g]
76.9 b-Fructose 1,6-diP C3[g]
75.1 b-Fructose 1,6-diP C4[g]
80.6 b-Fructose 1,6-diP C5[g]
65.3 b-Fructose 1,6-diP C6[g]
63.8 a-Fructose 6-P C1[g]
105.3 a-Fructose 6-P C2[g]
89.6 a-Fructose 6-P C3[g]
76.9 a-Fructose 6-P C4[g]
81.4 a-Fructose 6-P C5[g]
64.5 a-Fructose 6-P C6[g]
63.75 b-Fructose 6-P C1[g]
102.5 b-Fructose 6-P C2[g]
76.2 b-Fructose 6-P C3[g]
75.4 b-Fructose 6-P C4[g]
80.9 b-Fructose 6-P C5[g]
65.3 b-Fructose 6-P C6[g]
175.3 Fumarate C1,C1`[d]
175.6 Fumarate C1,C1'[g]
136 Fumarate C2,C2`[d]
136.4 Fumarate C2,C2'[g]
35.4 GABA C2[w]
24.6 GABA C3[w]
40.4 GABA C4[w]
180 Gluconate C1[h]
75.9 Gluconate C2[h]
72.3 Gluconate C3[h]
75 Gluconate C4[h]
73.2 Gluconate C5[h]
64.3 Gluconate C6[h]
93.2 a-Glucose 6-P C1[g]
63.6 a-Glucose 6-P C6[g]
96.8 b-Glucose 6-P C1[w]
97 b-Glucose 6-P C1[g]
63.6 b-Glucose 6-P C6[j]
92.9 a-Glucose C1[w]
93.1 a-Glucose C1[c]
93.2 a-Glucose C1[g]
72.3 a-Glucose C2[w]
72.5 a-Glucose C2[c,g]
73.2 a-Glucose C3[e]
73.8 a-Glucose C3[g]
73.9 a-Glucose C3[g]
70.1 a-Glucose C4[e]
70.7 a-Glucose C4[c,g]
72.3 a-Glucose C5[w]
72.5 a-Glucose C5[c]
72.6 a-Glucose C5[g]
61.7 a-Glucose C6[c]
61.8 a-Glucose C6[g]
96.8 b-Glucose C1[w]
97 b-Glucose C1[c,g]
75.1 b-Glucose C2[w]
75.2 b-Glucose C2[c]
75.3 b-Glucose C2[g]
76.1 b-Glucose C3[e]
77 b-Glucose C3[c]
70.1 b-Glucose C4[e]
70.7 b-Glucose C4[c,g]
76.8 b-Glucose C5[c,w]
76.9 b-Glucose C5[g]
61.8 b-Glucose C6[c,g]
174.7 Glutamate C1[e]
175.1 Glutamate C1[d]
55.2 Glutamate C2[d]
55.8 Glutamate C2[w]
27.6 Glutamate C3[d]
28.1 Glutamate C3[w]
34.2 Glutamate C4[d]
34.7 Glutamate C4[w]
181.4 Glutamate C5[e]
181.8 Glutamate C5[d]
174.2 Glutamine C1[e]
174.8 Glutamine C1[d]
55.2 Glutamine C2[d]
55.4 Glutamine C2[w]
27.2 Glutamine C3[d]
28.1 Glutamine C3[w]
31.8 Glutamine C4[d]
32 Glutamine C4[w]
177.8 Glutamine C5[e]
178.5 Glutamine C5[d]
91.3 Glyceraldehyde 3-P hydrate C1[g]
74.9 Glyceraldehyde 3-P hydrate C2[g]
66 Glyceraldehyde 3-P hydrate C3[g]
63.4 Glycerol 3-P C1[g]
63.5 Glycerol 3-P C1[w]
72.4 Glycerol 3-P C2[g]
65.8 Glycerol 3-P C3[g]
66 Glycerol 3-P C3[w]
62.59 Glycerol C1,C3[f]
63.50 Glycerol C1,C3[d]
63.6 Glycerol C1,C3[j]
69.74 Glycerol C2[f]
73 Glycerol C2[d]
73.3 Glycerol C2[g]
173.5 Glycine C1[g]
42.6 Glycine C2[w]
42.7 Glycine C2[j]
100.5 Glycogen (1:4) C1[c]
74 Glycogen (1:4) C3[c]
77.7 Glycogen (1:4) C4[c]
61.4 Glycogen (1:4) C6[c]
72 Glycogen (1:4,1:6) C2[c]
99.2 Glycogen (1:6) C1[c]
73.5 Glycogen (1:6) C3[c]
70 Glycogen (1:6) C4[c]
67.9 Glycogen (1:6) C6[c]
72.2 Glycogen (1:6,1:4) C5[c]
177.3 Glycolate C1[d]
60.3 Glycolate C2[d]
177.9 Glyoxylate C1[g]
89.3 Glyoxylate C2[g]
ShiftCompound
55.8 Histidine C2[w]
29.7 Histidine C3[w]
137.5 Histidine C6[w]
117.5 Histidine C8[w]
180.5 b-Hydroxybutyrate C1[e]
181.1 b-Hydroxybutyrate C1[d]
181.2 b-Hydroxybutyrate C1[g]
47.3 b-Hydroxybutyrate C2[e]
47.6 b-Hydroxybutyrate C2[d]
65.7 b-Hydroxybutyrate C3[e]
66.6 b-Hydroxybutyrate C3[d]
66.8 b-Hydroxybutyrate C3[g]
22.7 b-Hydroxybutyrate C4[d]
22.9 b-Hydroxybutyrate C4[g]
56.7 Hypotaurine (N)[w]
34.8 Hypotaurine (S)[w]
72.1 Inositol (myo) C1,C3[w]
73.3 Inositol (myo) C2[w]
73.6 Inositol (myo) C4,C6[w]
75.3 Inositol (myo) C5[w]
181 Isocitrate C1,C5[d]
38.5 Isocitrate C2[d]
49.9 Isocitrate C3[d]
74.6 Isocitrate C4[d]
60.7 Isoleucine C2[w]
37 Isoleucine C3[w]
25.7 Isoleucine C4[w]
15.8 Isoleucine CH3 (4)[w]
12.2 Isoleucine CH3 (5)[w]
170.7 a-Ketoglutarate C1[g]
170.8 a-Ketoglutarate C1[d]
206.3 a-Ketoglutarate C2[d]
206.7 a-Ketoglutarate C2[g]
31.4 a-Ketoglutarate C3[d]
31.8 a-Ketoglutarate C3[g]
36.7 a-Ketoglutarate C4[d]
37 a-Ketoglutarate C4[g]
182 a-Ketoglutarate C5[d]
182.7 a-Ketoglutarate C5[g]
183.2 Lactate C1[d]
183.5 Lactate C1[g]
69.4 Lactate C2[d]
69.6 Lactate C2[g]
21 Lactate C3[d]
21.3 Lactate C3[w]
55.3 Leucine C2[w]
41 Leucine C3[w]
25.3 Leucine C4[w]
22.2 Leucine CH3[w]
55.7 Lysine C2[w]
31.2 Lysine C3[w]
23.2 Lysine C4[w]
27.3 Lysine C5[w]
40.5 Lysine C6[w]
180.4 Malate C1[d]
182.1 Malate C1[g]
71.2 Malate C2[d]
71.7 Malate C2[g]
43.4 Malate C3[d]
43.9 Malate C3[g]
180.9 Malate C4[g]
181.6 Malate C4[d]
50.1 Methanol[g]
31.4 Methionine C2[w]
55.1 Methionine C3[w]
30 Methionine C4[w]
15.2 Methionine S(CH3)[w]
140.72 NAD C2[g]
134.68 NAD C3[g]
148.6 NAD C4[g]
129.6 NAD C5[g]
143.35 NAD C6[g]
166.22 NAD C7[g]
139.15 NADH C2[g]
101.25 NADH C3[g]
22.86 NADH C4[g]
106.22 NADH C5[g]
125.12 NADH C6[g]
173.62 NADH C7[g]
148.29 Nicotinamide C2[g]
129.7 Nicotinamide C3[g]
137.04 Nicotinamide C4[g]
124.96 Nicotinamide C5[g]
152.48 Nicotinamide C6[g]
170.79 Nicotinamide C7[g]
149.87 Nicotinate C2[g]
133.21 Nicotinate C3[g]
138.58 Nicotinate C4[g]
124.83 Nicotinate C5[g]
151.17 Nicotinate C6[g]
173.85 Nicotinate C7[g]
178.2 Oxaloacetate (hydrate) C1[g]
99.5 Oxaloacetate (hydrate) C2[g]
50 Oxaloacetate (hydrate) C3[g]
181.9 Oxaloacetate (hydrate) C4[g]
169.3 Oxaloacetate (keto) C1[g]
201.5 Oxaloacetate (keto) C2[g]
50.2 Oxaloacetate (keto) C3[g]
175.9 Oxaloacetate (keto) C4[g]
175.5 Oxaloacetate C1[d]
204.7 Oxaloacetate C2[d]
50 Oxaloacetate C3[d]
169.4 Oxaloacetate C4[d]
57.2 Phenylalanine C2[w]
37.7 Phenylalanine C3[w]
136.8 Phenylalanine C4[w]
130.4 Phenylalanine C5[w]
130 Phenylalanine C6[w]
128.6 Phenylalanine C7[w]
67.6 Phosphocholine (N)[w]
59.1 Phosphocholine (O)[w]
55.1 Phosphocreatine (CH2)[w]
38.1 Phosphocreatine (CH3)[w]
174.2 Phosphoenolpyruvate C1[g]
152.7 Phosphoenolpyruvate C2[g]
102.1 Phosphoenolpyruvate C3[g]
41.8 Phosphoethanolamine (N)[w]
61.5 Phosphoethanolamine (O)[w]
179 2-Phosphoglycerate C1[g]
77.4 2-Phosphoglycerate C2[g]
65.7 2-Phosphoglycerate C3[g]
62.3 Proline C2[w]
30 Proline C3[w]
25 Proline C4[w]
47.4 Proline C5[w]
185.4 Propionate C1[d]
31.5 Propionate C2[d]
11 Propionate C3[d]
176.8 Propionylcarnitine C1[d]
9 Propionylcarnitine C3[d]
59.1 Pyroglutamate C2[w]
26.3 Pyroglutamate C3[w]
30.9 Pyroglutamate C4[w]
177.6 Pyruvate (hydrate) C1[g]
93.1 Pyruvate (hydrate) C2[g]
26.3 Pyruvate (hydrate) C3[d]
26.7 Pyruvate (hydrate) C3[g]
169.3 Pyruvate (keto) C1[g]
205.4 Pyruvate (keto) C2[g]
27.6 Pyruvate (keto) C3[g]
171.1 Pyruvate C1[d]
205.8 Pyruvate C2[d]
27.3 Pyruvate C3[d]
173.5 Serine C1[g]
57.4 Serine C2[w]
57.5 Serine C2[g]
61.4 Serine C3[g]
61.6 Serine C3[w]
63.6 D-Sorbitol C1[g]
72.2 D-Sorbitol C2[g]
70.8 D-Sorbitol C3[g]
72.1 D-Sorbitol C4[g]
74.1 D-Sorbitol C5[g]
64 D-Sorbitol C6[g]
182.8 Succinate C1,C1`[d]
183.4 Succinate C1,C1'[g]
35 Succinate C2,C2`[d]
35.3 Succinate C2,C2'[g]
49 Taurine (N)[w]
48.4 Taurine (N) (pH 6.5) C1[a]
36.6 Taurine (S)[w]
36.5 Taurine (S) (pH 6.5) C2[a]
61.5 Threonine C2[w]
67.3 Threonine C3[w]
20.7 Threonine C4[w]
94 a,a-Trehalose C1[j]
94.4 a,a-Trehalose C1[j]
72.2 a,a-Trehalose C2[j]
73.3 a,a-Trehalose C2[j]
73.5 a,a-Trehalose C3[j]
73.7 a,a-Trehalose C3[j]
70.6 a,a-Trehalose C4[j]
70.9 a,a-Trehalose C4[j]
73 a,a-Trehalose C5[j]
61.5 a,a-Trehalose C6[j]
61.7 a,a-Trehalose C6[j]
120.3 Tryptophan C10[w]
119.4 Tryptophan C11[w]
56 Tryptophan C2[w]
27.6 Tryptophan C3[w]
126 Tryptophan C5[w]
112.9 Tryptophan C8[w]
123 Tryptophan C9[w]
57.4 Tyrosine C2[w]
36.7 Tyrosine C3[w]
156.2 Tyrosine C4[w]
131.8 Tyrosine C5[w]
116.8 Tyrosine C6[w]
127.6 Tyrosine C7[w]
61.6 Valine C2[w]
30.3 Valine C3[w]
19.2 Valine CH3[w]