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. 2016 Aug;58(8 Suppl 1):S53-61.
doi: 10.1097/JOM.0000000000000773.

High-Resolution Metabolomics Assessment of Military Personnel: Evaluating Analytical Strategies for Chemical Detection

Ken H Liu  1 , Douglas I Walker, Karan Uppal, ViLinh Tran, Patricia Rohrbeck, Timothy M Mallon, Dean P Jones
Affiliations

High-Resolution Metabolomics Assessment of Military Personnel: Evaluating Analytical Strategies for Chemical Detection

Ken H Liu et al. J Occup Environ Med. 2016 Aug.

Abstract

Objective: The aim of this study was to maximize detection of serum metabolites with high-resolution metabolomics (HRM).

Methods: Department of Defense Serum Repository (DoDSR) samples were analyzed using ultrahigh resolution mass spectrometry with three complementary chromatographic phases and four ionization modes. Chemical coverage was evaluated by number of ions detected and accurate mass matches to a human metabolomics database.

Results: Individual HRM platforms provided accurate mass matches for up to 58% of the KEGG metabolite database. Combining two analytical methods increased matches to 72% and included metabolites in most major human metabolic pathways and chemical classes. Detection and feature quality varied by analytical configuration.

Conclusions: Dual chromatography HRM with positive and negative electrospray ionization provides an effective generalized method for metabolic assessment of military personnel.

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Conflict of interest statement

Conflicts of Interest: None to declare

Figures

Figure 1
Figure 1
A. Total number of ions detected with percentage of ions matching at least one chemical in KEGG represented by dark portion of the bar. B. Number of chemical matches, with percentage of total database (17,554 chemicals) matched.
Figure 2
Figure 2
Dual HRM platforms increase number of database matches to 72% of the KEGG chemical database. Matches obtained from left HRM platform (blue), right HRM platform (red), and both HRM methods (purple).
Figure 3
Figure 3
Number of ions with database matches from paired HRM platforms. Ions detected by left HRM platform (blue), right HRM platform (red), and both HRM methods (purple).
Figure 4
Figure 4
Comparison of ion intensity for tyrosine detection by HILIC/ESI+ and C18/ESI+.
Figure 5
Figure 5
HRM detects metabolites from a broad range of chemical classes.
Figure 6
Figure 6
Dual HRM using C18/ESI− (blue) with HILIC/ESI+ (red) provides in-depth coverage of human metabolic pathways using multiple adducts for chemical matching. Black dots indicate metabolites matched with both HRM methods. 1246 metabolites are matched with this strategy.
Figure 7
Figure 7
Dual HRM using C18/ESI− (blue) with HILIC/ESI+ (red) provides adequate coverage of human metabolic pathways using conservative chemical matching strategy. Black dots indicate metabolites matched with both HRM methods. 757 metabolites are matched.
Figure 8
Figure 8
Representative chemical detection with eight HRM platforms.
See this image and copyright information in PMC

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