Metabotype Analysis for Personalized Biology: A New Bioanalytical Territory for High-Resolution MS

Rochat, Bertrand; Favre, Amélie; Sottas, Pierre-Edouard

doi:10.4155/bio.13.79

Cited by 6 publications

(1 citation statement)

References 20 publications

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“…However, accumulating data show that recent high-resolution mass spectrometers (HRMS) provide similar quantitative performance to QQQ-MS. − LC-HRMS analysis usually employs HR-full scan (HR-FS), which records all ionized compounds in a global acquisition, without the need for setting selective reaction monitoring (SRM) and optimizing collision energies. This is a clear advantage of HRMS over QQQ-MS. − …”

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Validation of the Mass-Extraction-Window for Quantitative Methods Using Liquid Chromatography High Resolution Mass Spectrometry

et al. 2016

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A paradigm shift is underway in the field of quantitative liquid chromatography-mass spectrometry (LC-MS) analysis thanks to the arrival of recent high-resolution mass spectrometers (HRMS). The capability of HRMS to perform sensitive and reliable quantifications of a large variety of analytes in HR-full scan mode is showing that it is now realistic to perform quantitative and qualitative analysis with the same instrument. Moreover, HR-full scan acquisition offers a global view of sample extracts and allows retrospective investigations as virtually all ionized compounds are detected with a high sensitivity. In time, the versatility of HRMS together with the increasing need for relative quantification of hundreds of endogenous metabolites should promote a shift from triple-quadrupole MS to HRMS. However, a current "pitfall" in quantitative LC-HRMS analysis is the lack of HRMS-specific guidance for validated quantitative analyses. Indeed, false positive and false negative HRMS detections are rare, albeit possible, if inadequate parameters are used. Here, we investigated two key parameters for the validation of LC-HRMS quantitative analyses: the mass accuracy (MA) and the mass-extraction-window (MEW) that is used to construct the extracted-ion-chromatograms. We propose MA-parameters, graphs, and equations to calculate rational MEW width for the validation of quantitative LC-HRMS methods. MA measurements were performed on four different LC-HRMS platforms. Experimentally determined MEW values ranged between 5.6 and 16.5 ppm and depended on the HRMS platform, its working environment, the calibration procedure, and the analyte considered. The proposed procedure provides a fit-for-purpose MEW determination and prevents false detections.

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Validation of the Mass-Extraction-Window for Quantitative Methods Using Liquid Chromatography High Resolution Mass Spectrometry

et al. 2016

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The Athlete Biological Passport: How to Personalize Anti-Doping Testing across an Athlete's Career?

Robinson¹,

Sottas²,

Schumacher

2017

Medicine and Sport Science

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For decades, drug testing has been the main instrument at the disposal of anti-doping authorities. The availability in the 1980s of substances identical to those produced by the human body, including the "big 3" (erythropoietin, testosterone, and growth hormone), necessitated a new paradigm in anti-doping. The athlete biological passport (ABP) is a new paradigm, complementary to traditional drug testing, based on the personalized monitoring of doping biomarkers. Athletes who abuse doping substances do so to trigger physiological changes that provide performance enhancement. The ABP aims to detect these changes through its 3 hematological, steroidal, and endocrine modules. Any deviation of a biomarker from what is expected in a healthy physiological condition can be attributable to doping or a medical condition, which, interestingly, is also the criterion used to define a banned substance. Recent advances in proteomics and metabolomics offer immense opportunities to enhance the ABP. The ABP shares multiple aspects with the present customization of health care and personalized medicine.

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Can Pharmacometabolomics and LC-HRMS develop a new Concept for Therapeutic Drug Monitoring?

Beck¹

2015

J Appl Bioanal

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Metabotype Analysis for Personalized Biology: A New Bioanalytical Territory for High-Resolution MS

Cited by 6 publications

References 20 publications

Validation of the Mass-Extraction-Window for Quantitative Methods Using Liquid Chromatography High Resolution Mass Spectrometry

Validation of the Mass-Extraction-Window for Quantitative Methods Using Liquid Chromatography High Resolution Mass Spectrometry

The Athlete Biological Passport: How to Personalize Anti-Doping Testing across an Athlete's Career?

Can Pharmacometabolomics and LC-HRMS develop a new Concept for Therapeutic Drug Monitoring?

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