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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]