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Review
, 286 (29), 25435-42

Mass Spectrometry Strategies in Metabolomics

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Review

Mass Spectrometry Strategies in Metabolomics

Zhentian Lei et al. J Biol Chem.

Abstract

MS has evolved as a critical component in metabolomics, which seeks to answer biological questions through large-scale qualitative and quantitative analyses of the metabolome. MS-based metabolomics techniques offer an excellent combination of sensitivity and selectivity, and they have become an indispensable platform in biology and metabolomics. In this minireview, various MS technologies used in metabolomics are briefly discussed, and future needs are suggested.

Figures

FIGURE 1.
FIGURE 1.
Contour plot of two-dimensional GC-TOF-MS analysis of an n-hexane extract of transgenic Artemisia annua L. A, total ion chromatogram (TIC) plot (first dimension, x axis; second dimension, y axis; time unit, second). B, expanded view of the boxed area in A. Peaks that are numbered in both panels are terpenoids. This figure has been reprinted from Ref. with permission.
FIGURE 2.
FIGURE 2.
UHPLC-quadrupole-TOF-MS base peak ion chromatogram of combined methanol extracts from soybean and M. truncatula (A17). The separation was performed on a Waters ACQUITY system using a Waters ACQUITY UPLC C18 column (2.1 × 100 mm) with 1.7-μm particles at a flow rate of 600 μl/min and a linear gradient of 0.1% acetic acid/acetonitrile (5:95 to 30:70 over 30 min). Mass spectra were recorded on a Waters Q-Tof Premier mass spectrometer.
FIGURE 3.
FIGURE 3.
Two-dimensional contour plots for a test mixture using NP×RP two-dimensional LC (A) and a steroid mixture using RP×RP two-dimensional LC (B). Compounds that were poorly separated in the first dimension NP separation (x axis) such as aromatic ethers (peaks 1–3), aromatic esters (peaks 4–6), phenones (peaks 7–10), and steroids (peaks 19–28) were clearly separated in the second dimension RP separation (y axis) (A). Despite its apparent lower orthogonality, RP×RP two-dimensional LC still offers higher separation efficiencies relative to one-dimensional LC (B). When two RP columns (Cyano and C18) were used, steroids were separated, which could not be achieved using either Cyano or C18 one-dimensional LC (B). This figure has been reprinted from Ref. with permission.
FIGURE 4.
FIGURE 4.
HPLC-positive ion ESI-MS chromatogram (A), with inset showing a full positive ion MS spectrum of peak 15 (afrormosin β-d-glucoside), and HPLC-negative ion ESI-MS chromatogram (B) of M. truncatula cell extracts. Some peaks such as peaks 4, 30, 31, and 32 were detected only in negative ion mode (B) but not in positive ion mode (A). In contrast, peaks 3, 13, and 28 were observed in positive ion mode only (A). This figure has been reprinted from our previous work (50) with permission.

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