Tags

Type your tag names separated by a space and hit enter

Inter-laboratory reproducibility of an untargeted metabolomics GC-MS assay for analysis of human plasma.
Sci Rep. 2020 Jul 02; 10(1):10918.SR

Abstract

There is a long-standing concern for the lack of reproducibility of the untargeted metabolomic approaches used in pharmaceutical research. Two types of human plasma samples were split into two batches and analyzed in two individual labs for untargeted GC-MS metabolomic profiling. The two labs used the same silylation sample preparation protocols but different instrumentation, data processing software, and database. There were 55 metabolites annotated reproducibly, independent of the labs. The median coefficient variations (CV%) of absolute spectra ion intensities in both labs were less than 30%. However, the comparison of normalized ion intensity among biological groups, were inconsistent across labs. Predicted power based on annotated metabolites was evaluated post various normalization, data transformation and scaling. For the first time our study reveals the numerical details about the variations in metabolomic annotation and relative quantification using plain inter-laboratory GC-MS untargeted metabolomic approaches. Especially we compare several commonly used post-acquisition strategies and found normalization could not strengthen the annotation accuracy or relative quantification precision of untargeted approach, instead it will impact future experimental design. Standardization of untargeted metabolomics protocols, including sample preparation, instrumentation, data processing, etc., is critical for comparison of untargeted data across labs.

Authors+Show Affiliations

Janssen Research and Development, Johnson and Johnson, 1400 McKean Road, Spring House, 19477, PA, USA. ylin82@its.jnj.com.Janssen Research and Development, Johnson and Johnson, 1400 McKean Road, Spring House, 19477, PA, USA.Janssen Research and Development, Johnson and Johnson, 1400 McKean Road, Spring House, 19477, PA, USA.Janssen Research and Development, Johnson and Johnson, 1400 McKean Road, Spring House, 19477, PA, USA.Janssen Research and Development, Johnson and Johnson, 1400 McKean Road, Spring House, 19477, PA, USA.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32616798

Citation

Lin, Yanping, et al. "Inter-laboratory Reproducibility of an Untargeted Metabolomics GC-MS Assay for Analysis of Human Plasma." Scientific Reports, vol. 10, no. 1, 2020, p. 10918.
Lin Y, Caldwell GW, Li Y, et al. Inter-laboratory reproducibility of an untargeted metabolomics GC-MS assay for analysis of human plasma. Sci Rep. 2020;10(1):10918.
Lin, Y., Caldwell, G. W., Li, Y., Lang, W., & Masucci, J. (2020). Inter-laboratory reproducibility of an untargeted metabolomics GC-MS assay for analysis of human plasma. Scientific Reports, 10(1), 10918. https://doi.org/10.1038/s41598-020-67939-x
Lin Y, et al. Inter-laboratory Reproducibility of an Untargeted Metabolomics GC-MS Assay for Analysis of Human Plasma. Sci Rep. 2020 Jul 2;10(1):10918. PubMed PMID: 32616798.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Inter-laboratory reproducibility of an untargeted metabolomics GC-MS assay for analysis of human plasma. AU - Lin,Yanping, AU - Caldwell,Gary W, AU - Li,Ying, AU - Lang,Wensheng, AU - Masucci,John, Y1 - 2020/07/02/ PY - 2020/01/20/received PY - 2020/05/27/accepted PY - 2020/7/4/entrez PY - 2020/7/4/pubmed PY - 2020/7/4/medline SP - 10918 EP - 10918 JF - Scientific reports JO - Sci Rep VL - 10 IS - 1 N2 - There is a long-standing concern for the lack of reproducibility of the untargeted metabolomic approaches used in pharmaceutical research. Two types of human plasma samples were split into two batches and analyzed in two individual labs for untargeted GC-MS metabolomic profiling. The two labs used the same silylation sample preparation protocols but different instrumentation, data processing software, and database. There were 55 metabolites annotated reproducibly, independent of the labs. The median coefficient variations (CV%) of absolute spectra ion intensities in both labs were less than 30%. However, the comparison of normalized ion intensity among biological groups, were inconsistent across labs. Predicted power based on annotated metabolites was evaluated post various normalization, data transformation and scaling. For the first time our study reveals the numerical details about the variations in metabolomic annotation and relative quantification using plain inter-laboratory GC-MS untargeted metabolomic approaches. Especially we compare several commonly used post-acquisition strategies and found normalization could not strengthen the annotation accuracy or relative quantification precision of untargeted approach, instead it will impact future experimental design. Standardization of untargeted metabolomics protocols, including sample preparation, instrumentation, data processing, etc., is critical for comparison of untargeted data across labs. SN - 2045-2322 UR - https://www.unboundmedicine.com/medline/citation/32616798/Inter-laboratory_reproducibility_of_an_untargeted_metabolomics_GC-MS_assay_for_analysis_of_human_plasma L2 - http://dx.doi.org/10.1038/s41598-020-67939-x DB - PRIME DP - Unbound Medicine ER -
Try the Free App:
Prime PubMed app for iOS iPhone iPad
Prime PubMed app for Android
Prime PubMed is provided
free to individuals by:
Unbound Medicine.