Validation studies for multicomponent quantitative NMR analysis: the example of apple fruit juice

摘要: Laboratories intending to work as official laboratories for food control have be accredited according ISO/IEC 17025. This necessitates the use of validated analytical methods. In this study, we present validation results recently commercialized “JuiceScreener” based on nuclear magnetic resonance (NMR) spectroscopy with apple juice application example. The quantitative analysis included 29 compounds such major sugars, amino acids, organic well acetoin, arbutin, benzaldehyde, hydroxymethylfurfural, acetaldehyde, methanol, and ethanol. Limit detection (LOD), limit quantification (LOQ), coefficients variation (CV) replicated measurements, repeatability, linear range, recoveries were determined. LOD LOQ values varied in 0.48–16 mg/L 1.9–122 mg/L ranges lowest shikimic acid highest principal sugars. 1H NMR assays broad concentration (R > 0.99), encompassed typical juices, are sufficient requirements code practice European fruit association. Recoveries between 92 109 % average five separate standard additions obtained. CVs found 3.0 % (intraday) 3.6 % (interday) excluding sample preparation (by measuring time one solution) 5.5 % 6.2 % including preparing analyzing samples). method was judged suitable simultaneous purposes. Our show that multiparameter methods can successfully instrumentarium they fit purpose control.