Table 1.

Common analytical techniques used in metabolomics.

Analytical method	Advantages	Disadvantages	Comments
NMR	• Rapid analysis	• Low sensitivity	• Chemical consideration: gives detailed strucutural information, particularly using 2-D-NMR of isolated metabolites
	• High resolution	• Convoluted spectra	• Chemical bias: these methods have little chemical bias and can be used directly on the sample
	• No derivatization method	• More than one peak per component	• Speed: few minutes to hours. Depends on the strength of the magnet, sensitivity can be improved by magic angle spinning
	• Non-destructive	• Libraries of limited use due to complex matrix
GC-MS	• Sensitive	• Slow	• Chemical consideration: on its own will not generally lead to metabolite identification. However, coupled with MS and NMR is very powerful for analyte identification
	• Robust	• Often requires derivaization	• Chemical bias: solvent extraction bias: non-polar vs. polar analytes. Need for chemical derivatization
	• Large linear range	• Many analytes thermally-unstable or too large for analysis	• Speed: very useful for separation, but typically take 10–30 min
	• Large commercial and public libraries
LC-MS	• No derivatization required (usually)	• Slow	• Chemical consideration: on its own will not generally lead to metabolite identification. However, coupled with MS and NMR is very powerful for analyte identification
	• Many modes of separation available	• Limited commercial libraries	• Chemical bias: solvent bias means it is usually more applicable to polar compounds
			• Speed: very useful for separation, but typically take 10–30 min
	• Large sample capacity
FT-IR	• Rapid analysis	• Extremely convoluted spectra	• Chemical consideration: provide limited structural information, but useful for identification of functional groups
	• Complete fingerprint of sample chemical composition	• More than one peak per component	• Chemical bias: these methods have little chemical bias and can be used directly on the sample
		• Metabolite identification nearly impossible	• Speed: 10–60 s
	• No derivatization needed	• Requires samples drying