High-resolution metabolomics assessment of military personnel Evaluating Analytical Strategies for Chemical Detection

Ken H. Liu; Douglas I. Walker; Karan Uppal; Vi Linh Tran; Patricia Rohrbeck; Timothy M. Mallon; Dean P. Jones

doi:10.1097/JOM.0000000000000773

High-resolution metabolomics assessment of military personnel Evaluating Analytical Strategies for Chemical Detection

Ken H. Liu, Douglas I. Walker, Karan Uppal, Vi Linh Tran, Patricia Rohrbeck, Timothy M. Mallon, Dean P. Jones^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

51 Scopus citations

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.

Original language	English
Pages (from-to)	S53-S61
Journal	Journal of Occupational and Environmental Medicine
Volume	58
Issue number	8S
DOIs	https://doi.org/10.1097/JOM.0000000000000773
State	Published - 1 Aug 2016
Externally published	Yes

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title = "High-resolution metabolomics assessment of military personnel Evaluating Analytical Strategies for Chemical Detection",

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.",

author = "Liu, {Ken H.} and Walker, {Douglas I.} and Karan Uppal and Tran, {Vi Linh} and Patricia Rohrbeck and Mallon, {Timothy M.} and Jones, {Dean P.}",

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doi = "10.1097/JOM.0000000000000773",

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T1 - High-resolution metabolomics assessment of military personnel Evaluating Analytical Strategies for Chemical Detection

AU - Liu, Ken H.

AU - Walker, Douglas I.

AU - Uppal, Karan

AU - Tran, Vi Linh

AU - Rohrbeck, Patricia

AU - Mallon, Timothy M.

AU - Jones, Dean P.

PY - 2016/8/1

Y1 - 2016/8/1

N2 - 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.

AB - 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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High-resolution metabolomics assessment of military personnel Evaluating Analytical Strategies for Chemical Detection

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