title: High-resolution Orbitrap mass spectrometry for the analysis of carotenoids in tomato fruit: validation and comparative evaluation towards UV-VIS and tandem mass spectrometry.
abstract: In this study, a generic extraction protocol and full-scan high-resolution Orbitrap-mass spectrometry (MS) detection method were developed, enabling the metabolomic screening for carotenoids in tomato fruit tissue. To this end, the carotenoids lutein, zeaxanthin, α-carotene, β-carotene, and lycopene (representing both xanthofylls and carotenes) were considered. The extraction procedure was optimized by means of a D-optimal design and consisted of a liquid-liquid extraction with methanol/tert-butyl methyl ether (1:1, v/v). The considered compounds were detected by a single-stage Exactive(TM) mass spectrometer, operating at a mass resolution of 100,000 full width at half maximum. The validation study demonstrated excellent performance in terms of linearity (R (2) > 0.99), repeatability (CV ≤ 10.6 %), within-laboratory reproducibility (CV ≤ 12.2 %), and mean corrected recovery (ranging from 85 to 106 %). Additionally, a comparative evaluation towards well-established detection techniques, i.e., tandem mass spectrometry (MS/MS) and ultraviolet-visible spectroscopy (UV-VIS) photodiode array, indicated superior performance of high-resolution Orbitrap-MS with regard to specificity/selectivity and sensitivity (with limits of detection ranging from 1.0 to 3.8 pg μL(-1)). As a result, it may be concluded that high-resolution Orbitrap-MS is a suited alternative for UV-VIS or MS/MS in analyzing carotenoids and may offer significant value in carotenoid research because of the metabolomic screening possibilities.
authors.affiliation: Faculty of Veterinary Medicine, Department of Veterinary Public Health and Food Safety, Laboratory of Chemical Analysis, Ghent University, Salisburylaan 133, 9820, Merelbeke, Belgium.
authors.forename: Lieven
authors.initials: L
authors.lastname: Van Meulebroek
authors.forename: Julie
authors.initials: J
authors.lastname: Vanden Bussche
authors.forename: Kathy
authors.initials: K
authors.lastname: Steppe
authors.forename: Lynn
authors.initials: L
authors.lastname: Vanhaecke
mesh_terms: D002338:Carotenoids / Q000737:chemistry*; D005638:Fruit / Q000737:chemistry; D018551:Solanum lycopersicum / Q000737:chemistry*; D010936:Plant Extracts / Q000737:chemistry*; D013053:Spectrophotometry / Q000379:methods*; D013056:Spectrophotometry, Ultraviolet / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000295:instrumentation / Q000379:methods*
chemical_list: D010936:Plant Extracts; D002338:Carotenoids