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. 2021 Aug 19;78(19-20):6487–6503. doi: 10.1007/s00018-021-03918-3

Table 1.

Comparison of frequently employed analytical platforms in metabolomics [7, 22]

Analytical platform Applications Advantages Disadvantages
GC/MS

Hydrophobic and polar compounds with low molecular weight

Ionization method: electron impact (EI)

High sensitivity (10–12 M)

Accuracy (< 50 ppm)

Mass range (< 350 Da)

Suitable for volatile compounds

Available databases

Destructive

Requires derivatization

Unsuitable for non-volatile compounds

Relatively long run time

Multiple derivatization of certain compound classes are possible

LC/MS

Polar compounds and SMs

Ionization method: atmospheric pressure chemical ionization (API) and electrospray ionization (ESI)

High sensitivity (10–15 M)

Accuracy (50–100 ppm)

Mass range (< 1500 Da)

Destructive

Low separation of LC column

Specific retention times Specific chromatographic conditions

NMR Exploits the ability of spin active nuclei to absorb and re-emit pulsed electromagnetic radiation of a characteristic frequency pattern when placed in a magnetic field; provides information about molecular structure, chemical environment and molecular motion

Non-destructive

Highly reproducible

Accurate quantification

Minimal need of sample preparation

Analysis of wide range of chemical structures

High capital cost of instrumentation

Low sensitivity (10–6 M)

Overlap of metabolite signals in 1D spectra