Metabolites | Chemical shift | R2 of OPLS-DA | R2 of OPLS regression | ||
---|---|---|---|---|---|
Control vs cisplatin | Control vs SSZ | Control vs combined | Tumor size of control vs combined | ||
3-Hydroxykynurenine | 3.71(d); 4.16(t); 6.71(t); 7.05(d); 7.45(d) | Â | 0.8822 | Â | Â |
Alanine | 1.48(d); 3.79(q) | Â | Â | Â | Â |
Glycerate | 3.72(dd); 3.83(dd) | Â | 0.8940 | Â | Â |
Creatine | 3.04(s); 3.93(s); 4.09(dd) | 0.9217 | 0.9039 | 0.8967 | 0.8967 |
Lactate | 1.33(d); 4.11(q) | 0.8523 | 0.7985 | Â | Â |
NAD+ | 4.761(t); 6.094(d); 8.239(s); 8.335(s) | 0.8593 | Â | Â | Â |
Phospho(enol)pyruvate | 5.19(t); 5.37(t) | 0.9175 | 0.8901 | 0.857 | Â |
Allantoin | 5.4(s) | 0.8547 | 0.8083 | 0.8688 | 0.877 |
Uracil | 5.81(d); 7.54(d) |  |  | − 0.6106 |  |
Unknown-1 | Â | Â | Â | 0.8738 | 0.9039 |
cis-Aconitate | 3.17(s); 5.92(s) | 0.8518 | Â | Â | Â |
Cytosine | 5.98(d); 7.51(d) | 0.8090 | Â | Â | Â |
Isocytosine | 5.99(d); 7.62(d) | 0.8894 | Â | Â | Â |
Inosine | 3.85(dd); 3.92(dd); 4.28(q); 4.44(t); 6.1(d); 8.24(s); 8.34(s) | 0.9123 | 0.9887 | 0.9754 | 0.9603 |
Orotate | 6.2(s) |  |  |  | − 0.8591 |
5-Hydroxytryptophan | 3.23(dd); 3.41 (dd); 4.02(dd); 6.87(d); 6.88(d); 7.14(s); 7.28(s); 7.41(d) | Â | Â | Â | 0.9361 |
Anserine | 2.67(m); 3.01(dd); 3.21(m);3.21(dd);3.72(s);4.48; 6.97(s); 7.95(s) | Â | Â | 0.8258 | Â |
p-Hydroxyphenylpyruvate | 3.92(s); 6.63(d); 6.99(d); 7.73(d); 9.43(s) | Â | Â | 0.7812 | Â |
Tryptophan | 3.31(dd); 3.49(dd); 4.06(dd); 7.21(t); 7.29(t); 7.33(s); 7.55(d); 7.74(d) |  |  | − 0.8846 |  |
Quinolinate | 7.45(q); 7.9(d); 8.02(d) |  |  | − 0.7986 |  |
N-Acetylhistamine | 2.84(t); 3.45(m); 7.03(s); 7.95(s) | 0.8164 | Â | Â | Â |
Picolinate | 7.54(t); 7.92(d); 7.96(t); 8.57(s) | 0.9170 | 0.8502 | 0.8232 | 0.8232 |
Phosphocreatine | 3.05(s); 3.95(s) | 0.8443 | 0.9367 | 0.8623 | 0.8835 |