Characterization of lemon (Citrus limon) polar extract by liquid chromatography-tandem mass spectrometry in high resolution mode.
Eighty four metabolites (32 flavonoids, 15 amino acids, nine carboxylic acids, six coumarins, six sugars, five phenolic acids and 11 unclassified compounds) have been tentatively identified in a polar extract from lemon, without reference standards, based on their liquid chromatography-quadrupole-time-of-flight MS/MS spectra and the comparison with databases. Despite information in databases for some families of plant compounds is poor, tentative identification based on MS/MS information (mass of the precursor ion and their fragments, together with neutral mass loss) was possible with the help of known fragmentation patterns for the given families of compounds. Both positive and negative ionization modes and at least two collision energies were always applied to obtain as much information as possible from each molecular entity, thus helping for identification. As the tentatively identified metabolites are the same regardless of the organism they belong, their fragmentation patterns are useful for identification with independence of the sample nature.
Department of Analytical Chemistry, University of Córdoba, Campus of Rabanales, E-14071, Córdoba, Spain.|University of Córdoba Agroalimentary Excellence Campus, ceiA3, Campus of Rabanales, Córdoba, E-14071, Spain.|Chemical and Biochemical Engineering Department, Technological Institute of Veracruz, Av. Miguel Ángel de Quevedo 2779, Veracruz, 91860, Mexico.
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Ledesma-Escobar
Department of Analytical Chemistry, University of Córdoba, Campus of Rabanales, E-14071, Córdoba, Spain.|University of Córdoba Agroalimentary Excellence Campus, ceiA3, Campus of Rabanales, Córdoba, E-14071, Spain.|Maimónides Institute of Biomedical Research (IMIBIC), Reina Sofía Hospital, University of Córdoba, Córdoba, E-14071, Spain.
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Priego-Capote
Department of Analytical Chemistry, University of Córdoba, Campus of Rabanales, E-14071, Córdoba, Spain.|University of Córdoba Agroalimentary Excellence Campus, ceiA3, Campus of Rabanales, Córdoba, E-14071, Spain.|Maimónides Institute of Biomedical Research (IMIBIC), Reina Sofía Hospital, University of Córdoba, Córdoba, E-14071, Spain.
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Luque de Castro
D000596:Amino Acids / Q000032:analysis; D002241:Carbohydrates / Q000032:analysis; D002264:Carboxylic Acids / Q000032:analysis; D002853:Chromatography, Liquid / Q000379:methods*; D002957:Citrus / Q000737:chemistry* / Q000378:metabolism; D003374:Coumarins / Q000032:analysis; D005419:Flavonoids / Q000032:analysis; D062385:Hydroxybenzoates / Q000032:analysis; D010936:Plant Extracts / Q000032:analysis* / Q000737:chemistry; D053719:Tandem Mass Spectrometry / Q000379:methods*
D000596:Amino Acids; D002241:Carbohydrates; D002264:Carboxylic Acids; D003374:Coumarins; D005419:Flavonoids; D062385:Hydroxybenzoates; D010936:Plant Extracts; C017616:phenolic acid
citrus fruits; identification; mass spectrometry; metabolites