Table 2 Characteristic metabolites from the OPLS-DA model of 1H NMR analysis of cell lines
From: Malignancy-associated metabolic profiling of human glioma cell lines using 1H NMR spectroscopy
Metabolites (Abb) | Chemical shift (ppm) | Multiplicity | VIP |
|---|---|---|---|
Valine | 1.002 | d | 2.038 |
1.053 | d | ||
Leucine | 0.966 | t | 2.970 |
1.727 | m | ||
Isoleucine | 0.944 | t | 2.152 |
1.021 | d | ||
Lysine | 1.734 | m | 1.108 |
3.030 | t | ||
Glutamate | 2.055 | m | 2.573 |
2.148 | m | ||
2.357 | m | ||
Glutamine | 2.144 | m | 4.110 |
2.464 | m | ||
Glutathione | 2.177 | m | 1.870 |
2.549 | m | ||
2.979 | m | ||
Threonine | 3.597 | d | 2.173 |
4.258 | m | ||
Tyrosine | 6.915 | d | 1.377 |
7.207 | d | ||
Phenylalanine | 7.341 | m | 1.294 |
7.394 | m | ||
7.434 | m | ||
Taurine | 3.270 | t | 5.524 |
3.426 | t | ||
Glycerophosphocholine | 3.235 | s | 3.983 |
4.329 | m | ||
Myo-inositol | 3.534 | d | 3.410 |
3.550 | d | ||
3.627 | t | ||
4.068 | t | ||
Creatine | 3.597 | s | 5.963 |
4.258 | s | ||
Lactate | 1.337 | d | 9.514 |
4.119 | dd | ||
Formate | 8.461 | s | 1.433 |
Acetate | 1.920 | s | 5.618 |