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Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

Journal Article · · Journal of the American Society for Mass Spectrometry
 [1];  [2];  [3];  [2];  [2];  [4];  [5];  [6];  [7];  [8];  [4];  [9];  [10];  [11];  [9];  [12];  [6];  [10];  [5];  [13] more »;  [14];  [15];  [15];  [8];  [9];  [4];  [16];  [17];  [15];  [11];  [6];  [18];  [3];  [3];  [19];  [20] « less
  1. Helmholtz Zentrum München, Neuherberg (Germany); German Center for Diabetes Research (DZD), Neuherberg (Germany)
  2. Helmholtz Zentrum München, Neuherberg (Germany)
  3. Bruker Daltonics Inc., Billerica, MA (United States)
  4. Normandie Université, Université de Rouen, Mont Saint Aignan (France)
  5. Saarland University, Saarbrücken (Germany)
  6. Bruker Daltonik GmbH, Bremen (Germany)
  7. University of Melbourne, VIC (Australia)
  8. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
  9. Florida International University (FIU), Miami, FL (United States)
  10. Trent University, Peterborough, ON (Canada)
  11. Université de Strasbourg (France)
  12. Korea Basic Science Institute, Cheongju (Korea, Republic of)
  13. RIKEN Center for Sustainable Resource Science, Yokohama (Japan)
  14. Institut Polytechnique de Paris ( France)
  15. Leiden University (Netherlands)
  16. Korea Basic Science Institute, Seoul (Korea, Republic of)
  17. University degli Studi di Salerno (Italy)
  18. ExxonMobil Research and Engineering Company, Clinton, NJ (United States)
  19. Bruker Daltonics Inc., Billerica, MA (United States); Harvard University, Cambridge, MA (United States)
  20. Helmholtz Zentrum München, Neuherberg (Germany); German Center for Diabetes Research (DZD), Neuherberg (Germany); Technical University of Munich, Freising (Germany)
+ Show Author Affiliations
We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.
Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
European Regional Development Fund (ERDF); European Union’s Horizon 2020; German Center for Diabetes Research (DZD); Région Normandie, the Laboratoire d’Excellence (LabEx); USDOE Office of Science (SC)
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
1903304
Report Number(s):
PNNL-SA-175881
Journal Information:
Journal of the American Society for Mass Spectrometry, Journal Name: Journal of the American Society for Mass Spectrometry Journal Issue: 12 Vol. 33; ISSN 1044-0305
Publisher:
American Society for Mass SpectrometryCopyright Statement
Country of Publication:
United States
Language:
English

References (27)

An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer? journal June 2020
Fourier transform (FT)-artifacts and power-function resolution filter in Fourier transform mass spectrometry journal September 2017
Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow journal March 2013
Correction to: Metabolomic Fingerprinting of Blood Samples by Direct Infusion Mass Spectrometry: Application in Alzheimer’s Disease Research journal July 2017
Impact of instrument and experiment parameters on reproducibility of ultrahigh resolution ESI FT-ICR mass spectra of natural organic matter journal August 2010
Molecular differences between water column and sediment pore water SPE-DOM in ten Swedish boreal lakes journal March 2020
Probabilistic Quotient Normalization as Robust Method to Account for Dilution of Complex Biological Mixtures. Application in 1 H NMR Metabonomics journal July 2006
Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950): GC-MS, LC-MS, NMR, and Clinical Laboratory Analyses, Libraries, and Web-Based Resources journal November 2013
Natural Organic Matter and the Event Horizon of Mass Spectrometry journal December 2008
Solutions for Low and High Accuracy Mass Spectrometric Data Matching: A Data-Driven Annotation Strategy in Nontargeted Metabolomics journal August 2015
Interlaboratory Reproducibility of a Targeted Metabolomics Platform for Analysis of Human Serum and Plasma journal December 2016
21 Tesla FT-ICR Mass Spectrometer for Ultrahigh-Resolution Analysis of Complex Organic Mixtures journal January 2018
Mass Difference Maps and Their Application for the Recalibration of Mass Spectrometric Data in Nontargeted Metabolomics journal February 2019
Interlaboratory Comparison of Untargeted Mass Spectrometry Data Uncovers Underlying Causes for Variability journal March 2021
Optimization and Application of Direct Infusion Nanoelectrospray HRMS Method for Large-Scale Urinary Metabolic Phenotyping in Molecular Epidemiology journal March 2017
Ultra-Performance Liquid Chromatography–High-Resolution Mass Spectrometry and Direct Infusion–High-Resolution Mass Spectrometry for Combined Exploratory and Targeted Metabolic Profiling of Human Urine journal September 2018
An Enhanced Isotopic Fine Structure Method for Exact Mass Analysis in Discovery Metabolomics: FIA-CASI-FTMS journal August 2020
Exploring yeast interactions through metabolic profiling journal April 2020
Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control journal June 2014
Systems chemical analytics: introduction to the challenges of chemical complexity analysis journal January 2019
Linking the FTO obesity rs1421085 variant circuitry to cellular, metabolic, and organismal phenotypes in vivo journal July 2021
Harmonizing lipidomics: NIST interlaboratory comparison exercise for lipidomics using SRM 1950–Metabolites in Frozen Human Plasma journal October 2017
Kendrick-Analogous Network Visualisation of Ion Cyclotron Resonance Fourier Transform Mass Spectra: Improved Options for the Assignment of Elemental Compositions and the Classification of Organic Molecular Complexity journal August 2011
From green chemistry and nature-like technologies towards ecoadaptive chemistry and technology journal February 2019
Interlaboratory comparison of humic substances compositional space as measured by Fourier transform ion cyclotron resonance mass spectrometry (IUPAC Technical Report) journal August 2020
Metabolomic fingerprinting of serum samples by direct infusion mass spectrometry conference November 2016
Direct infusion mass spectrometry for metabolomic phenotyping of diseases journal January 2017

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