Database for 15N isotope tagged carboxyl group containing metabolites using
15N-Ethanolamine [in H2O/D2O (95:5) at pH 5.0, 298K]
Number
|
15N labeled metabolite
|
15N chemical shift
(ppm) |
1H chemical shift
(ppm) |
1 |
Acetic Acid |
120.87 |
7.99 |
2 |
cis-Aconitic Acid |
121.80 |
8.19 |
2 |
cis-Aconitic Acid |
120.49 |
8.26 |
2 |
cis-Aconitic Acid |
118.58 |
8.58 |
3 |
Adipic Acid |
120.40 |
8.01 |
4 |
L-Alanine |
113.65 |
8.21 |
5 |
beta-Alanine |
119.80 |
8.1 |
6 |
L-2-Aminoadipic Acid |
116.41 |
8.2 |
6 |
L-2-Aminoadipic Acid |
115.70 |
8.27 |
7 |
L-2-Aminobutyric Acid |
115.90 |
8.27 |
8 |
L-Arginine |
116.13 |
8.26 |
9 |
L-Asparagine |
115.28 |
8.22 |
10 |
L-Aspartic Acid |
115.28 |
8.23 |
10 |
L-Aspartic Acid |
121.49 |
8.13 |
11 |
Benzoic Acid |
114.85 |
8.46 |
12 |
Betaine |
124.23 |
8.56 |
13 |
Butyric Acid |
120.60 |
7.99 |
14 |
Citraconic Acid |
120.08 |
8.00 |
14 |
Citraconic Acid |
118.55 |
8.26 |
15 |
Citric Acid |
122.59 |
8.02 |
15 |
Citric Acid |
113.75 |
8.17 |
15 |
Citric Acid |
121.70 |
8.16 |
16 |
L-Cysteine |
116.36 |
8.30 |
17 |
N,N-Dimethylglycine |
117.94 |
8.39 |
18 |
Formic Acid |
123.93 |
8.05 |
19 |
Fumaric Acid |
124.40 |
8.53 |
20 |
D-Glucuronic Acid |
118.91 |
8.29 |
20 |
D-Glucuronic Acid |
118.47 |
8.22 |
21 |
L-Glutamic Acid |
115.55 |
8.20 |
21 |
L-Glutamic Acid |
120.37 |
8.01 |
22 |
L-Glutamine |
115.87 |
8.27 |
23 |
L-Glycine |
114.70 |
8.11 |
24 |
L-Glycolic Acid |
114.65 |
8.29 |
24 |
L-Glycolic Acid |
114.10 |
8.12 |
25 |
Guanidineacetic Acid |
114.98 |
8.16 |
26 |
Hippuric Acid |
114.79 |
8.09 |
27 |
L-Histidine |
116.52 |
8.22 |
28 |
4-Hydroxybenzoic Acid |
115.34 |
8.55 |
29 |
3-Hydroxybutyric Acid |
121.94 |
8.04 |
30 |
2-Hydroxyphenyl Acetic Acid |
119.78 |
7.91 |
31 |
4-Hydroxyphenyl Acetic Acid |
120.83 |
8.06 |
32 |
4-Hydroxy-L-proline |
116.72 |
8.25 |
32 |
4-Hydroxy-L-proline |
115.63 |
8.42 |
33 |
Isocitric Acid |
116.36 |
8.25 |
33 |
Isocitric Acid |
120.22 |
8.04 |
33 |
Isocitric Acid |
121.78 |
8.29 |
33 |
Isocitric Acid |
121.63 |
7.94 |
34 |
Isoleucine |
118.75 |
8.28 |
35 |
alpha-Ketoglutaric Acid |
116.45 |
8.58 |
36 |
L-Lactic Acid |
113.69 |
8.40 |
36 |
L-Lactic Acid |
112.96 |
8.12 |
37 |
DL-Leucine |
115.19 |
8.24 |
37 |
DL-Leucine |
115.99 |
8.31 |
38 |
L-Lysine |
115.84 |
8.26 |
39 |
Maleic Acid |
121.77 |
8.40 |
40 |
Malic Acid |
121.77 |
8.05 |
40 |
Malic Acid |
114.22 |
8.19 |
41 |
Malonic Acid |
122.01 |
8.23 |
42 |
L-Mandelic Acid |
115.38 |
8.66 |
43 |
L-Methionine |
115.70 |
8.25 |
44 |
Methylmalonic Acid |
118.90 |
8.09 |
45 |
3-Methyl-2-oxovaleric acid |
113.10 |
8.62 |
46 |
Octanoic Acid |
120.47 |
7.95 |
47 |
Oxalic Acid |
113.89 |
8.73 |
47 |
Oxalic Acid |
116.22 |
8.40 |
48 |
Phenylacetic Acid |
120.68 |
8.05 |
49 |
L-Phenylalanine |
117.24 |
8.11 |
50 |
DL-3-Phenyllactic Acid |
116.43 |
8.26 |
50 |
DL-3-Phenyllactic Acid |
115.42 |
7.94 |
51 |
L-Proline |
114.94 |
8.25 |
52 |
Propionic Acid |
118.49 |
7.92 |
53 |
DL-Pyroglutamic Acid |
115.55 |
8.20 |
54 |
Pyruvic Acid |
110.99 |
8.55 |
55 |
Serine |
116.69 |
8.25 |
56 |
Suberic Acid |
120.34 |
7.97 |
57 |
Succinic Acid |
119.30 |
8.00 |
58 |
L-Tartaric Acid |
116.51 |
8.34 |
59 |
DL-Threonine |
117.49 |
8.27 |
60 |
L-Tryptophan |
116.84 |
8.01 |
61 |
Tyrosine |
117.23 |
8.17 |
62 |
L-Valine |
118.40 |
8.29 |
|
