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Characterization of lemon ( Citrus limon ) polar extract by liquid chromatography–tandem mass spectrometry in high resolution mode
Author(s) -
LedesmaEscobar C. A.,
PriegoCapote F.,
Luque de Castro M. D.
Publication year - 2015
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3637
Subject(s) - chemistry , chromatography , mass spectrometry , tandem mass spectrometry , tandem , polar , liquid chromatography–mass spectrometry , resolution (logic) , high resolution , physics , remote sensing , astronomy , artificial intelligence , geology , materials science , computer science , composite material
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. Copyright © 2015 John Wiley & Sons, Ltd.