Nitrogen-15-cholamine-Labeled Metabolite Database

Database for 15N isotope tagged carboxyl group containing metabolites using 15N-Cholamine [in H2O/D2O (95:5) at pH 5.0, 298K]

Label Name 1H (ppm) 15N (ppm)
1 Acetic Acid 8.04 121.06
2 N-Acetyl-L-glutamine 8.28 116.61
2 N-Acetyl-L-glutamine 8.01 121.05
3 N-Acetylglycine 8.12 115.62
4 Cis-Aconitic acid 8.5 118.24
4 Cis-Aconitic acid 8.14 121.47
4 Cis-Aconitic acid 8.06 119.49
4 Cis-Aconitic acid 8.07 120.21
4 Cis-Aconitic acid 8.23 116.00
4 Cis-Aconitic acid 8.14 120.81
5 Adipic acid 8.05 120.57
6 Alanine 8.30 114.39
7 beta-Alanine 8.13 119.49
7 beta-Alanine 8.11 121.76
7 beta-Alanine 8.09 120.63
7 beta-Alanine 8.04 120.29
8 4-Aminobenzoic acid 8.25 111.35
9 2-Aminoadipic acid 8.29 116.62
10 4-Aminobenzoic acid 8.22 111.20
11 4-Aminobutyric acid 8.04 120.15
12 2-Aminoisobutyric Acid 8.09 110.48
13 3-Aminoisobutyrate 7.37 116.65
13 3-Aminoisobutyrate 8.06 119.31
13 3-Aminoisobutyrate 8.10 120.97
13 3-Aminoisobutyrate 8.22 118.94
14 Arginine 8.34 115.96
15 Asparagine 8.31 116.03
16 Aspartic acid 8.15 120.01
16 Aspartic acid 8.38 115.27
16 Aspartic acid 8.31 115.6
16 Aspartic acid 8.16 121.35
17 Azelaic Acid 8.02 120.52
18 Benzoic Acid 8.55 115.32
19 Betaine 8.55 122.69
20 Butyrate, sodium 8.03 120.75
21 L-Carnitine 8.15 122.71
22 Citric acid 8.20 121.46
22 Citric acid 8.07 123.95
22 Citric acid 7.87 121.88
23 Cholic acid 8.06 120.35
24 Citraconic acid 7.76 117.38
24 Citraconic acid 8.21 118.98
25 p-Coumaric acid 8.24 120.45
26 Citrulline 8.35 115.93
27 Cysteine 8.35 115.93
28 Cystine 8.5 115.22
29 Deoxycholic acid 8.05 120.28
30 2,3-Dibromopropionic acid 8.42 117.46
30 2,3-Dibromopropionic acid 8.78 122.36
31 2,3-Dihydroxybenzoic acid 7.22 117.48
31 2,3-Dihydroxybenzoic acid 7.22 116.95
31 2,3-Dihydroxybenzoic acid 7.86 117.47
31 2,3-Dihydroxybenzoic acid 7.86 116.98
32 DL-3,4-Dihydroxyphenylalanine 8.29 117.72
33 N,N-Dimethylglycine 8.42 117.36
34 Folic Acid 8.25 116.04
34 Folic Acid 8.03 120.39
35 Formic acid 8.05 123.93
36 Fumaric acid 8.42 122.68
36 Fumaric acid 8.56 124.24
37 Glucuronic acid 8.38 119.54
38 Glutamic acid 8.28 115.99
38 Glutamic acid 8.05 120.42
39 Glutamine 8.35 115.90
40 L-Glutathione reduced 7.97 115.44
40 L-Glutathione reduced 8.02 115.57
41 Glutaric acid 8.05

 

120.40
42 D-Glyceric acid 8.28 117.39
42 D-Glyceric acid 8.47 117.93
42 D-Glyceric acid 8.51 117.28
43 Glycine 8.2 115.45
44 Glycocholic acid 8.09 115.66
45 Glycolic acid 8.22 114.97
45 Glycolic acid 8.37 115.19
46 Glycoursodeoxycholic acid 8.09 115.69
47 Guanidineacetic Acid 8.24 115.29
48 Hippuric acid 8.2 115.62
49 Histidine 8.36 116.60
50 Homovanillic acid 8.02 120.85
51 4-Hydroxybenzoic Acid 8.61 115.55
52 2-Hydroxybutyrate 8.52 115.73
52 2-Hydroxybutyrate 8.25 115.77
53 3-Hydroxybutyric acid 8.07 122.20
    8.19 121.94
54 3-Hydroxycinnamic Acid 8.24 120.70
55 2-Hydroxyisobutyrate 7.94 112.03
55 2-Hydroxyisobutyrate 8.24 111.72
55 2-Hydroxyisobutyrate 8.29 113.07
56 2-Hydroxyisocaproic acid 8.26 8.26
56 2-Hydroxyisocaproic acid 8.81 115.05
57 2-hydroxy-3-methylbutyric acid 8.51 116.85
58 2-Hydroxyphenylacetate 8.00 120.12
59 4-Hydroxy-L-proline 8.5 115.89
59 4-Hydroxy-L-proline 8.36 117.62
60 2-hydroxyisobutyric acid 7.95 117.51
61 DL-Isocitric acid 8.40 117.15
61 DL-Isocitric acid 8.11 120.77
62 Isoleucine 8.37 118.19
63 Isovaleric acid 8.07 121.92
64 α-Ketoglutaric acid 8.69 116.34
64 α-Ketoglutaric acid 8.63 111.84
65 Lactic acid 8.23 114.18
65 Lactic acid 8.49 114.45
66 Leucine 8.34 115.74
67 Lysine 8.33 115.88
68 Maleic acid 8.39 120.39
69 Malic acid 8.28 122.83
69 Malic acid 8.29 115.14
69 Malic acid 8.08 122.15
70 Malonic acid 8.19 121.44
71 L-Mandelic Acid 8.51 115.45
71 L-Mandelic Acid 8.76 115.96
72 Methionine 8.36 116.08
73 1-Methylhistidine 8.35 116.17
74 3-Methylhistidine 8.46 116.30
75 3-Methyl-2-oxobutanoic acid 8.31 115.23
75 3-Methyl-2-oxobutanoic acid 8.70 113.57
76 3-Methyl-2-oxovaleric acid sodium salt 8.73 113.50
76 3-Methyl-2-oxovaleric acid sodium salt 8.31 115.26
77 4-Methyl-2-oxovaleric acid 8.68 112.03
78 4-Nitrophenyl formate 8.05 123.91
79 D-Norleucine 8.34 115.92
80 Octanoic Acid 8.03 120.62
81 DL-Ornithine monohydrochloride 8.29 115.35
82 Oxalic acid 8.47 117.13
83 Oxaloacetic acid 8.35 112.67
83 Oxaloacetic acid 8.63 111.40
84 Phenylacetic Acid 8.08 120.90

 

85 L-phenylalanine 8.21 118.85
86 L-proline 8.35 115.58
87 Propionic acid 7.95 118.85
88 Pyroglutamic acid 8.29 115.81
89 Pyruvic acid 8.63 111.39
89 Pyruvic acid 8.35 112.72
90 Sarcosine 8.21 115.36
91 Serine 8.17 117.63
92 Shikimic acid 8.14 115.62
93 Suberic Acid 8.03 120.51
94 Succinic acid 7.96 119.64
94 Succinic acid 8.01 119.16
95 Succinyl-COA 8.03 119.17
95 Succinyl-COA 8.11 119.67
96 Taurolithe cholate, sodium salt 8.05 123.90
97 L-threonine 8.34 117.79
98 L-tryptophan 7.98 119.37
99 Tyrosine 8.27 118.05
100 Valine 8.38 118.20