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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
  1. Multiplicity: s singlet, d doublet, t triplet, dd doublet of doublets, m multiplet.
  2. VIP: Variable importance in the projection was obtained from OPLS-DA model.