title: Improved characterization of tomato polyphenols using liquid chromatography/electrospray ionization linear ion trap quadrupole Orbitrap mass spectrometry and liquid chromatography/electrospray ionization tandem mass spectrometry.
abstract: Tomato (Lycopersicon esculentum Mill.) is the second most important fruit crop worldwide. Tomatoes are a key component in the Mediterranean diet, which is strongly associated with a reduced risk of chronic degenerative diseases. In this work, we use a combination of mass spectrometry (MS) techniques with negative ion detection, liquid chromatography/electrospray ionization linear ion trap quadrupole-Orbitrap-mass spectrometry (LC/ESI-LTQ-Orbitrap-MS) and liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) on a triple quadrupole, for the identification of the constituents of tomato samples. First, we tested for the presence of polyphenolic compounds through generic MS/MS experiments such as neutral loss and precursor ion scans on the triple quadrupole system. Confirmation of the compounds previously identified was accomplished by injection into the high-resolution system (LTQ-Orbitrap) using accurate mass measurements in MS, MS(2) and MS(3) modes. In this way, 38 compounds were identified in tomato samples with very good mass accuracy (<2 mDa), three of them, as far as we know, not previously reported in tomato samples.
authors.affiliation: Nutrition and Food Science Department, XaRTA, INSA, Pharmacy School, University of Barcelona, Barcelona, Spain.
authors.forename: Anna
authors.initials: A
authors.lastname: Vallverdú-Queralt
authors.forename: Olga
authors.initials: O
authors.lastname: Jáuregui
authors.forename: Alexander
authors.initials: A
authors.lastname: Medina-Remón
authors.forename: Cristina
authors.initials: C
authors.lastname: Andrés-Lacueva
authors.forename: Rosa M
authors.initials: RM
authors.lastname: Lamuela-Raventós
mesh_terms: D019817:Benzoic Acid / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid; D003373:Coumaric Acids / Q000737:chemistry*; D005419:Flavonoids / Q000737:chemistry*; D018551:Solanum lycopersicum / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D003373:Coumaric Acids; D005419:Flavonoids; D019817:Benzoic Acid