NMR metabolite quantification of a synthetic urine sample: an inter-laboratory comparison of processing workflows.

Cécile CanletCatherine DebordeEdern CahoreauGrégory Da CostaRoselyne GautierDaniel JacobCyril JousseMélia LacazeInès Le MaoEstelle MartineauLindsay PeyrigaTristan RichardVirginie SilvestreMounir TraïkiaAnnick Moing Patrick Giraudeau

Published in: Metabolomics : Official journal of the Metabolomic Society (2023)

External calibration performed better than TSP internal referencing. Inter-laboratory tests are useful when choosing to better rationalize the choice of quantification tools for NMR-based metabolomic profiling and confirm the value of spectra deconvolution tools.

Keyphrases

magnetic resonance
high resolution
solid state
single cell
decision making
molecular dynamics