title: Mass spectrometric behavior of phenolic acids standards and their analysis in the plant samples with LC/ESI/MS system.
abstract: Liquid chromatography coupled to mass spectrometry (MS) with electrospray ionization (ESI) is one of analytical techniques to obtain accurate results of low molecular weight aromatic compounds in biological samples of different origin. The interpretations of mass spectra of these aromatic compounds in the negative spectra registered in the full scan MS mode may be uneasy due to presence of deprotonated molecules [M-H](-) from different co-eluting entities, fragment ions created after the break-up of precursor ions and also ions representing modified molecules clusters. Thus, the first aim of this study was to evaluate general parameters during analysis performed in the full scan MS or MS/MS mode. Secondly, to set general fragmentation rules for aromatic compounds and entities in a complex biological matrix. We established that different groups of low molecular weight phenolic acids form unique adduct ions and additionally registration LC/MS/MS spectra with two different collision energies may allow for differentiating isomeric or isobaric molecules. These findings together with some general fragmentation rules can facilitate identifications of aromatic acids as we outlined in the sample of cold-pressed rose-hip oil and lupine leaves extract.
authors: Adam Mickiewicz University in Poznań, Faculty of Chemistry, Umultowska 89b, 61-614 Poznań, Poland. Electronic address: wostrow@amu.edu.pl.
authors: Wojciech
authors: W
authors: Ostrowski
authors: Institute of Bioorganic Chemistry Polish Academy of Sciences, Noskowskiego 12/14, 61-704 Poznań, Poland. Electronic address: astasz@man.poznan.pl.
authors: Anna
authors: A
authors: Wojakowska
authors: Wrocław Medical University, Department of Bromatology and Dietetics, Borowska 211, 50-556 Wrocław, Poland. Electronic address: magdalena.grajzer@gmail.com.
authors: Magdalena
authors: M
authors: Grajzer
authors: Institute of Bioorganic Chemistry Polish Academy of Sciences, Noskowskiego 12/14, 61-704 Poznań, Poland. Electronic address: mackis@ibch.poznan.pl.
authors: Maciej
authors: M
authors: Stobiecki
mesh_terms: D000146:Acids, Carbocyclic / Q000032:analysis / Q000737:chemistry*; D000447:Aldehydes / Q000032:analysis / Q000737:chemistry*; D002853:Chromatography, Liquid / Q000379:methods*; D031297:Lupinus / Q000737:chemistry; D010636:Phenols; D010936:Plant Extracts / Q000737:chemistry*; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D000146:Acids, Carbocyclic; D000447:Aldehydes; D010636:Phenols; D010936:Plant Extracts
keywords: Aromatic acids; Cluster ions; Fragmentation pathways; Liquid chromatography/mass spectrometry; Substitution pattern