Table 1 NMR resonance assignments of the metabolites identified in samples of pancreatic intact tissues
| Â | Metabolite | Group | 1H chemical shift (ppm) | 13C chemical shift (ppm) |
|---|---|---|---|---|
1 | Leucine | δCH3 | 0.95 | 23.43 |
δ'CH3 | 0.95 | 24.75 | ||
2 | Lactate | CH3 | 1.33 | 22.69 |
CH | 4.13 | 71.22 | ||
3 | Glycine | CH 2 | 3.56 | 44.05 |
4 | Glycerol | CH2-OH (d 2X) | 3.55 | 65.03 |
CH 2 -OH (u 2X) | 3.64 | 65.07 | ||
| Â | Â | CH-OH | 3.77 | 74.69 |
5 | Glutamine | αCH | 3.77 | 57.23 |
γCH 2 | 2.44 | 33.52 | ||
6 | Serine | γCH2 | 3.97 | 62.90 |
7 | Taurine | CH2-NH3+ | 3.27 | 50.01 |
CH 2 -SO 3 - | 3.43 | 37.93 | ||
8 | Valine | γ'CH3 | 1.04 | 20.44 |
αCH-NH2 | 3.60 | 63.05 | ||
9 | Arginine | γCH2 | 1.65 | 25.90 |
βCH2 | 1.92 | 30.13 | ||
δCH2 | 3.22 | 43.23 | ||
10 | β-Glucose | C6H(d) | 3.89 | 63.48 |
C1H | 4.65 | 98.70 | ||
11 | α-Glucose | CH2 | 3.83 | 62.08 |
C1H | 5.22 | 94.94 | ||
12 | Lysine | δCH2 | 1.73 | 29.17 |
βCH2 | 1.90 | 32.48 | ||
γCH2 | 1.91 | 30.25 | ||
13 | Glutamic acid | βCH2 | 2.08 | 29.67 |
γCH 2 | 2.35 | 35.96 | ||
14 | Alanine | βCH3 | 1.48 | 18.87 |
15 | Myo-Inositol | (CH)2 | 3.54 | 73.81 |
(CH)2 | 3.63 | 75.11 | ||
CH | 4.05 | 74.79 | ||
16 | Ornithine | αCH-NH2 | 3.77 | 57.05 |
δCH2-NH2 | 3.05 | 41.83 | ||
β-CH2 | 1.93 | 30.28 | ||
γ-CH2 | 1.74 | 25.52 | ||
17 | 3-Hydroxybutyric acid | CH3 | 1.20 | 24.30 |
18 | Creatine | CH 2 | 3.93 | 56.23 |
19 | Choline | N + -(CH 3 ) 3 | 3.23 | 56.48 |
20 | Fatty acids (a) | (1)CH2 | 1.30 | 32.16 |
21 | Fatty acids (b) | CH2 | 2.80 | 28.50 |
22 | Fatty acids (c) | (1)CH2 | 2.26 | 36.60 |
23 | Succinic acid | (CH 2 )2 | 2.39 | 34.00 |
24 | Ascorbate | CH-O | 4.52 | 80.87 |
25 | Ethanolamine | CH 2 -NH 2 | 3.13 | 43.90 |
26 | Phosphorylcholine | CH 2 -O | 4.11 | 63.60 |
N+-(CH3)3 | 3.22 | 56.57 | ||
27 | Threonine | βCH | 4.25 | 68.50 |
28 | Glycerophosphocholine | N+-(CH3)3 | 3.21 | 56.56 |
βCH2 | 3.72 | 68.49 | ||
αCH 2 | 4.33 | 62.16 | ||
CH2OH | 3.93 | 73.32 | ||
CH2-HPO4(d) | 3.89 | 69.22 | ||
29 | Tyrosine | meta CH ortho CH βCH2(d) | 6.88 7.18 3.02 | 118.44 133.30 39.40 |
30 | Phenylalanine | ortho CH para CH meta CH | 7.31 7.36 7.42 | 131.91 132.28 131.59 |
31 | Aspartic acid | βCH 2 (d) βCH2(u) | 2.63 2.81 | 40.20 40.82 |