Table 5. Global Metabolite Analysis Technology Intercomparison

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Table 5. Global Metabolite Analysis Technology Intercomparison (acronyms)

	GC-MS	LC-MS	NMR
Strengths	Highly sensitive detection of small, nonpolar organic compounds Robust Highly reproducible Well-developed databases Well-established techniques for quantitative measurements Use of high-performance mass analyzers, such as FTICR, to provide accurate mass measurement and minimize the need for separations	Highly sensitive detection High throughput Minimized need to derivitize molecules prior to analysis Potential for single-cell analysis Use of high-performance mass analyzers, such as FTICR, to provide accurate mass measurement and minimize the need for separations	Structural information provided Nondestructive Direct analysis of liquids Highly reproducible Automatable Dynamic range similar to MS
Weaknesses	Derivitizing less volatile metabolites lowering throughput and introducing potential for sample loss Difficult to discover new compounds	Poor analytical reproducibility in multivariate setting Ion suppression and matrix effects Lower resolving power than GC, leading to poor separation of molecules in complex matrices	Sensitivity Resolution Limited application to complex mixtures
Development Needs	Robustness Improved chromatographic resolving power Improved dynamic range Metabolite databases Computational tools for predicting metabolites	Robustness Dynamic range Cryogenic probes Microprobes and nanoprobes Robust interfaces with chromatography

GC-MS

LC-MS

NMR

Strengths

Highly sensitive detection of small, nonpolar organic compounds

Robust

Highly reproducible

Well-developed databases

Well-established techniques for quantitative measurements

Use of high-performance mass analyzers, such as FTICR, to provide accurate mass measurement and minimize the need for separations

Highly sensitive detection

High throughput

Minimized need to derivitize molecules prior to analysis

Potential for single-cell analysis

Use of high-performance mass analyzers, such as FTICR, to provide accurate mass measurement and minimize the need for separations

Structural information provided

Nondestructive

Direct analysis of liquids

Highly reproducible

Automatable

Dynamic range similar to MS

Weaknesses

Derivitizing less volatile metabolites lowering throughput and introducing potential for sample loss

Difficult to discover new compounds

Poor analytical reproducibility in multivariate setting

Ion suppression and matrix effects

Lower resolving power than GC, leading to poor separation of molecules in complex matrices

Sensitivity

Resolution

Limited application to complex mixtures

Development Needs

Robustness

Improved chromatographic resolving power

Improved dynamic range

Metabolite databases

Computational tools for predicting metabolites

Robustness

Dynamic range

Cryogenic probes

Microprobes and nanoprobes

Robust interfaces with chromatography

The table above compares and contrasts strengths, weaknesses, and development needs of technologies for use in a high-throughput production environment.

U.S. Department of Energy Office of Science

Genomics:GTL

Table 5. Global Metabolite Analysis Technology Intercomparison (acronyms)

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