International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

J. Will Thompson; Kendra J. Adams; Jerzy Adamski; Yasmin Asad; David Borts; John A. Bowden; Gregory Byram; Viet Dang; Warwick B. Dunn; Facundo Fernandez; Oliver Fiehn; David A. Gaul; Andreas F. R. Huhmer; Anastasia Kalli; Therese Koal; Stormy Koeniger; Rupasri Mandal; Florian Meier; Fuad J. Naser; Donna O'Neil; Akos Pal; Gary J. Patti; null Hai Pham-Tuan; Cornelia Prehn; Florence I. Raynaud; Tong Shen; Andrew D. Southam; Lisa St John-Williams; Karolina Sulek; Catherine G. Vasilopoulou; Mark Viant; Catherine L. Winder; David Wishart; Lun Zhang; Jiamin Zheng; M. Arthur Moseley

doi:10.1021/acs.analchem.9b02908

International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

J. Will Thompson, Kendra J. Adams, Jerzy Adamski, Yasmin Asad, David Borts, John A. Bowden, Gregory Byram, Viet Dang, Warwick B. Dunn, Facundo Fernandez, Oliver Fiehn, David A. Gaul, Andreas F. R. Huhmer, Anastasia Kalli, Therese Koal, Stormy Koeniger, Rupasri Mandal, Florian Meier, Fuad J. Naser, Donna O'NeilAkos Pal, Gary J. Patti, Hai Pham-Tuan, Cornelia Prehn, Florence I. Raynaud, Tong Shen, Andrew D. Southam, Lisa St John-Williams, Karolina Sulek, Catherine G. Vasilopoulou, Mark Viant, Catherine L. Winder, David Wishart, Lun Zhang, Jiamin Zheng, M. Arthur Moseley

21 Citations (Scopus)

Abstract

A challenge facing metabolomics in the analysis of large human cohorts is the cross-laboratory comparability of quantitative metabolomics measurements. In this study, 14 laboratories analyzed various blood specimens using a common experimental protocol provided with the Biocrates AbsoluteIDQ p400HR kit, to quantify up to 408 metabolites. The specimens included human plasma and serum from male and female donors, mouse and rat plasma, as well as NIST SRM 1950 reference plasma. The metabolite classes covered range from polar (e.g., amino acids and biogenic amines) to nonpolar (e.g., diacyl-and triacyl-glycerols), and they span 11 common metabolite classes. The manuscript describes a strict system suitability testing (SST) criteria used to evaluate each laboratory's readiness to perform the assay, and provides the SST Skyline documents for public dissemination. The study found approximately 250 metabolites were routinely quantified in the sample types tested, using Orbitrap instruments. Interlaboratory variance for the NIST SRM-1950 has a median of 10% for amino acids, 24% for biogenic amines, 38% for acylcarnitines, 25% for glycerolipids, 23% for glycerophospholipids, 16% for cholesteryl esters, 15% for sphingolipids, and 9% for hexoses. Comparing to consensus values for NIST SRM-1950, nearly 80% of comparable analytes demonstrated bias of <50% from the reference value. The findings of this study result in recommendations of best practices for system suitability, quality control, and calibration. We demonstrate that with appropriate controls, high-resolution metabolomics can provide accurate results with good precision across laboratories, and the p400HR therefore is a reliable approach for generating consistent and comparable metabolomics data.

Original language	English
Journal	Analytical Chemistry
Volume	91
Issue number	22
Pages (from-to)	14407-14416
ISSN	0003-2700
DOIs	https://doi.org/10.1021/acs.analchem.9b02908
Publication status	Published - 2019

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Thompson, J. W., Adams, K. J., Adamski, J., Asad, Y., Borts, D., Bowden, J. A., Byram, G., Dang, V., Dunn, W. B., Fernandez, F., Fiehn, O., Gaul, D. A., Huhmer, A. F. R., Kalli, A., Koal, T., Koeniger, S., Mandal, R., Meier, F., Naser, F. J., ... Moseley, M. A. (2019). International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis. Analytical Chemistry, 91(22), 14407-14416. https://doi.org/10.1021/acs.analchem.9b02908

Thompson, JW, Adams, KJ, Adamski, J, Asad, Y, Borts, D, Bowden, JA, Byram, G, Dang, V, Dunn, WB, Fernandez, F, Fiehn, O, Gaul, DA, Huhmer, AFR, Kalli, A, Koal, T, Koeniger, S, Mandal, R, Meier, F, Naser, FJ, O'Neil, D, Pal, A, Patti, GJ, Hai Pham-Tuan, Prehn, C, Raynaud, FI, Shen, T, Southam, AD, St John-Williams, L, Sulek, K, Vasilopoulou, CG, Viant, M, Winder, CL, Wishart, D, Zhang, L, Zheng, J & Moseley, MA 2019, 'International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis', Analytical Chemistry, vol. 91, no. 22, pp. 14407-14416. https://doi.org/10.1021/acs.analchem.9b02908

@article{fe6baf3d41d147f1b2264fe7d5909a69,

title = "International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis",

abstract = "A challenge facing metabolomics in the analysis of large human cohorts is the cross-laboratory comparability of quantitative metabolomics measurements. In this study, 14 laboratories analyzed various blood specimens using a common experimental protocol provided with the Biocrates AbsoluteIDQ p400HR kit, to quantify up to 408 metabolites. The specimens included human plasma and serum from male and female donors, mouse and rat plasma, as well as NIST SRM 1950 reference plasma. The metabolite classes covered range from polar (e.g., amino acids and biogenic amines) to nonpolar (e.g., diacyl-and triacyl-glycerols), and they span 11 common metabolite classes. The manuscript describes a strict system suitability testing (SST) criteria used to evaluate each laboratory's readiness to perform the assay, and provides the SST Skyline documents for public dissemination. The study found approximately 250 metabolites were routinely quantified in the sample types tested, using Orbitrap instruments. Interlaboratory variance for the NIST SRM-1950 has a median of 10% for amino acids, 24% for biogenic amines, 38% for acylcarnitines, 25% for glycerolipids, 23% for glycerophospholipids, 16% for cholesteryl esters, 15% for sphingolipids, and 9% for hexoses. Comparing to consensus values for NIST SRM-1950, nearly 80% of comparable analytes demonstrated bias of <50% from the reference value. The findings of this study result in recommendations of best practices for system suitability, quality control, and calibration. We demonstrate that with appropriate controls, high-resolution metabolomics can provide accurate results with good precision across laboratories, and the p400HR therefore is a reliable approach for generating consistent and comparable metabolomics data.",

author = "Thompson, {J. Will} and Adams, {Kendra J.} and Jerzy Adamski and Yasmin Asad and David Borts and Bowden, {John A.} and Gregory Byram and Viet Dang and Dunn, {Warwick B.} and Facundo Fernandez and Oliver Fiehn and Gaul, {David A.} and Huhmer, {Andreas F. R.} and Anastasia Kalli and Therese Koal and Stormy Koeniger and Rupasri Mandal and Florian Meier and Naser, {Fuad J.} and Donna O'Neil and Akos Pal and Patti, {Gary J.} and {Hai Pham-Tuan} and Cornelia Prehn and Raynaud, {Florence I.} and Tong Shen and Southam, {Andrew D.} and {St John-Williams}, Lisa and Karolina Sulek and Vasilopoulou, {Catherine G.} and Mark Viant and Winder, {Catherine L.} and David Wishart and Lun Zhang and Jiamin Zheng and Moseley, {M. Arthur}",

year = "2019",

doi = "10.1021/acs.analchem.9b02908",

language = "English",

volume = "91",

pages = "14407--14416",

journal = "Industrial And Engineering Chemistry Analytical Edition",

issn = "0003-2700",

publisher = "American Chemical Society",

number = "22",

}

TY - JOUR

T1 - International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

AU - Thompson, J. Will

AU - Adams, Kendra J.

AU - Adamski, Jerzy

AU - Asad, Yasmin

AU - Borts, David

AU - Bowden, John A.

AU - Byram, Gregory

AU - Dang, Viet

AU - Dunn, Warwick B.

AU - Fernandez, Facundo

AU - Fiehn, Oliver

AU - Gaul, David A.

AU - Huhmer, Andreas F. R.

AU - Kalli, Anastasia

AU - Koal, Therese

AU - Koeniger, Stormy

AU - Mandal, Rupasri

AU - Meier, Florian

AU - Naser, Fuad J.

AU - O'Neil, Donna

AU - Pal, Akos

AU - Patti, Gary J.

AU - Hai Pham-Tuan, null

AU - Prehn, Cornelia

AU - Raynaud, Florence I.

AU - Shen, Tong

AU - Southam, Andrew D.

AU - St John-Williams, Lisa

AU - Sulek, Karolina

AU - Vasilopoulou, Catherine G.

AU - Viant, Mark

AU - Winder, Catherine L.

AU - Wishart, David

AU - Zhang, Lun

AU - Zheng, Jiamin

AU - Moseley, M. Arthur

PY - 2019

Y1 - 2019

N2 - A challenge facing metabolomics in the analysis of large human cohorts is the cross-laboratory comparability of quantitative metabolomics measurements. In this study, 14 laboratories analyzed various blood specimens using a common experimental protocol provided with the Biocrates AbsoluteIDQ p400HR kit, to quantify up to 408 metabolites. The specimens included human plasma and serum from male and female donors, mouse and rat plasma, as well as NIST SRM 1950 reference plasma. The metabolite classes covered range from polar (e.g., amino acids and biogenic amines) to nonpolar (e.g., diacyl-and triacyl-glycerols), and they span 11 common metabolite classes. The manuscript describes a strict system suitability testing (SST) criteria used to evaluate each laboratory's readiness to perform the assay, and provides the SST Skyline documents for public dissemination. The study found approximately 250 metabolites were routinely quantified in the sample types tested, using Orbitrap instruments. Interlaboratory variance for the NIST SRM-1950 has a median of 10% for amino acids, 24% for biogenic amines, 38% for acylcarnitines, 25% for glycerolipids, 23% for glycerophospholipids, 16% for cholesteryl esters, 15% for sphingolipids, and 9% for hexoses. Comparing to consensus values for NIST SRM-1950, nearly 80% of comparable analytes demonstrated bias of <50% from the reference value. The findings of this study result in recommendations of best practices for system suitability, quality control, and calibration. We demonstrate that with appropriate controls, high-resolution metabolomics can provide accurate results with good precision across laboratories, and the p400HR therefore is a reliable approach for generating consistent and comparable metabolomics data.

AB - A challenge facing metabolomics in the analysis of large human cohorts is the cross-laboratory comparability of quantitative metabolomics measurements. In this study, 14 laboratories analyzed various blood specimens using a common experimental protocol provided with the Biocrates AbsoluteIDQ p400HR kit, to quantify up to 408 metabolites. The specimens included human plasma and serum from male and female donors, mouse and rat plasma, as well as NIST SRM 1950 reference plasma. The metabolite classes covered range from polar (e.g., amino acids and biogenic amines) to nonpolar (e.g., diacyl-and triacyl-glycerols), and they span 11 common metabolite classes. The manuscript describes a strict system suitability testing (SST) criteria used to evaluate each laboratory's readiness to perform the assay, and provides the SST Skyline documents for public dissemination. The study found approximately 250 metabolites were routinely quantified in the sample types tested, using Orbitrap instruments. Interlaboratory variance for the NIST SRM-1950 has a median of 10% for amino acids, 24% for biogenic amines, 38% for acylcarnitines, 25% for glycerolipids, 23% for glycerophospholipids, 16% for cholesteryl esters, 15% for sphingolipids, and 9% for hexoses. Comparing to consensus values for NIST SRM-1950, nearly 80% of comparable analytes demonstrated bias of <50% from the reference value. The findings of this study result in recommendations of best practices for system suitability, quality control, and calibration. We demonstrate that with appropriate controls, high-resolution metabolomics can provide accurate results with good precision across laboratories, and the p400HR therefore is a reliable approach for generating consistent and comparable metabolomics data.

U2 - 10.1021/acs.analchem.9b02908

DO - 10.1021/acs.analchem.9b02908

M3 - Journal article

C2 - 31638379

SN - 0003-2700

VL - 91

SP - 14407

EP - 14416

JO - Industrial And Engineering Chemistry Analytical Edition

JF - Industrial And Engineering Chemistry Analytical Edition

IS - 22

ER -

International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

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