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Table 1 List of qualitative chemical shift markers and its chemical shift assignment

From: Proton NMR characterization of intact primary and metastatic melanoma cells in 2D & 3D cultures

S. no Cell line/culture type 1H NMR markers (ppm) Assignment Reference
1 2D Primary melanoma 5.86 (d) Guanosine [21]
2   Metastatic melanoma
3 3D Primary melanoma 3.58 (d) Threonine [22, 23]
3.60 (d) Threonine [24]
3.67 (s) Glucose [23]
3.75 Glutamine  
4.12 (t) Glycerophospoethanolamine [25, 26]
4.39 (s) N-Acetylgalactosaminitol [27]
6.16 (d) Glucose [28]
8.07 (s) NH2 [29]
4   Metastatic melanoma 8.25 (s) ATP [30]
5 Primary melanoma 2D 1.16 (s) Lipids [31]
2.71 (s) Dimethylamine [32]
2.74 (s) Dimethylamine [33]
3.04 Creatine/phosphocreatine [25]
[34, 35]
3.25 (s) Choline head groups of phospholipids [36]
6   3D 2.19 (s) Adipate [37]
2.72 (t) Unassigned  
2.93 (s) Dimethyl glycine [26]
3.58 (d) Threonine [23]
3.61 (d) Glycerol [38]
4.02 (s) 2 Hydroxyglutarate [39, 40]
4.12 (t) Glycerophosphoethanolamine [38]
4.39 (s) N-Acetylgalactosaminitol [27]
6.07 (d) Unassigned  
6.17 (s) Unassigned  
7 Metastatic melanoma 2D 3.08 Methyl lysine [40]
[41]
3.72–3.75 (q) Unassigned  
3.90 (s) Glucose [42]
8   3D 3.19 (s) O-Acetylcarnitine [37]
3.48 (s) Unassigned  
9 2D 2.85 (s) Asparagine [43]
3.22 Choline [25]
3.96 (t) β-Cyclodextrin [44]
5.29 (s) Hc–ch (l, ch) 
 [31]
10 3D 2.72 (t) Unassigned  
3.63 (s) Glycerol [38]
3.66 Glycerol/inositol [38]
[45]
3.78 Phosphoinositol [45]
4.05 (t) Ethanolamine [45]
4.21 Phosphocholine [38]
4.32 Glycerophosphocholine [31]
7.12 (s) Ar–H [31]
7.44 (d) Unassigned  
7.83 (s) Amide (–NH) [37]