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. 2020 Mar 31;21(7):2436. doi: 10.3390/ijms21072436

Table 1.

Melanoma metabolites selected from S-plot (OPLS-DA model in Pareto scaling), as the most influential in group separation, and their corresponding VIP values.

Metabolites Elevated (↑) in WM115 Metabolites Elevated (↑) in WM2664
Name S-plot (δ) VIP Name S-plot (δ) VIP
o-Phosphocholine 3.23 2.18 Lactic acid 1.33 8.36
Choline 3.21 1.34 Myo-inositol 3.55 4.60
Inosine 8.35 0.91 Myo-inositol 4.07 4.15
Inosine 6.11 0.87 Myo-inositol 3.63 4.12
Leucine 0.97 0.83 Lactic acid 4.11 3.83
Isoleucine 1.27 0.70 Myo-inositol 3.53 3.76
Myo-inositol 3.29 3.29
Myo-inositol 3.61 3.23
Glutamic acid 2.35 3.17
Creatine 3.93 3.16
Creatine 3.03 2.92
Creatine 3.05 2.92
Myo-inositol 3.65 2.66
Glutamic acid 3.77 2.40
Myo-inositol 3.27 2.35
Succinic acid 2.41 2.21
Glutamic acid 2.37 2.13
Glutamic acid 2.07 2.12
Lactic acid 4.13 2.07
Proline 3.35 2.06
Glutamic acid 3.79 1.90
Glutamic acid 2.13 1.86
Glutamic acid 2.09 1.79
Glutamic acid 3.75 1.77
Glutamic acid 2.05 1.77
Lactic acid 4.09 1.75
Glutamic acid 2.15 1.67
Glycine 3.57 1.66
Glutamic acid 2.33 1.65
Alanine 1.49 1.64
Taurine and Proline 1 3.43 1.62
Myo-inositol 3.31 1.61
Glutamic acid 2.11 1.51

1: At δ 3.43 there is contribution from both Taurine and Proline resonances.