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Recently, the high analytical power provided by the new HRMS instruments (working in the MS or MS/MS mode, stand alone or hyphenated with separation techniques) is making more feasible the characterization of plant secondary metabolites. In this regard, HRMS-based techniques are becoming the technique of choice, since they are capable of answering many questions regarding analytical characterization of secondary metabolites, usually found in very complex matrices, including their structure, composition and concentration in a very fast and sensitive way. In this manuscript we will provide a critical and updated revision of this topic covering the works published in the last 4 years (2015)(2016)(2017)(2018), including the different configurations in which HRMS may be used (stand alone or hyphenated), the data treatment, the strategies for the identification of unknown metabolites, the current software for structure elucidation, as well as the last trends and future outlooks in this hot area of research.

Citrus sinensis (orange) by-products represent one of the most abundant citric residues from orange juice industrial production, and a promising source of health-promoting compounds like terpenes. In this work, different...

A novel valorization strategy is proposed in this work for the sustainable utilization of a major mango processing waste (i.e. mango seed kernel, MSK), integrating green pressurized-liquid extraction (PLE), bioactive assays and comprehensive HRMS-based phytochemical characterization to obtain bioactive-rich fractions with high antioxidant capacity and antiproliferative activity against human colon cancer cells. Thus, a two steps PLE procedure was proposed to recover first the non-polar fraction (fatty acids and lipids) and second the polar fraction (polyphenols). Efficient selection of the most suitable solvent for the second PLE step (ethanol/ethyl acetate mixture) was based on the Hansen solubility parameters (HSP) approach. A comprehensive GC-and LC-Q-TOF-MS/MS profiling analysis allowed the complete 36 characterization of the lipidic and phenolic fractions obtained under optimal condition (100% 37 EtOH at 150°C), demonstrating the abundance of oleic and stearic acids, as well as bioactive 38 xanthones, phenolic acids, flavonoids, gallate derivatives and gallotannins. The obtained MSK-39 extract exhibited higher antiproliferative activity against human colon adenocarcinoma cell line 40 HT-29 compared to traditional extraction procedures described in literature for MSK utilization 41 (e.g. Soxhlet), demonstrating the great potential of the proposed valorization strategy as a 42 valuable opportunity for mango processing industry to deliver a value-added product to the market with health promoting properties. , , , and , are regression 163 coefficients of variables for intercept, linear, quadratic, and interaction terms, respectively, and 164 and are the independent variables, representing solvent composition and temperature, 165 respectively. The adequacy of the model was determined by coefficient of regression (R 2) and the F-test value obtained from the analysis of variance (ANOVA) by the statistical software 167 STATISTICA 12 (Stat Soft, Inc., Tulsa, OK 74104, USA). Pareto charts for the standardized 168 effects of independent variables on response factors were also generated. A multiple response 169 optimization was carried out by combining the experimental factors, looking for maximizing 170 the desirability function (Ballesteros-Vivas et al., 2019).