Rapid Structure-Based Annotation and Profiling of Dihydrochalcones in Star Fruit (Averrhoa carambola) Using UHPLC/Q-Orbitrap-MS and Molecular Networking

Abstract

Dihydrochalcones are a subclass of flavonoids. There has been growing interest in dihydrochalcones for their health benefits and potential to modulate flavor, but their comprehensive profile in diverse plant species is lacking. Star fruit is a tropical fruit rich in dihydrochalcones. In this study, a systematic annotation using UHPLC/Q-Orbitrap-MS and molecular networking was established to rapidly identify dihydrochalcones in 12 star fruit cultivars. A total of 53 dihydrochalcones were characterized within a short retention time including one novel compound (phloretin-3′-C-(2-O-trans-p-coumaroyl)-β-D-fucopyranoside) and 23 compounds identified from the Averrhoa genus for the first time. 3-Hydroxyphloretin was the most abundant dihydrochalcone in star fruit. All the identified dihydrochalcones had a higher abundance in leaves compared to fruits. This is the first report that systematically investigates dihydrochalcones in star fruit of multiple cultivars, and the results could provide a useful reference for the future development and utilization of plant genetic resources.

Natural Sweeteners and Sweetness-Enhancing Compounds Identified in Citrus Using an Efficient Metabolomics-Based Screening Strategy

“…As a versatile analytical technique, ultrahigh-performance liquid chromatography/mass spectrometry (UHPLC/MS) has been widely used for characterizing plant metabolites, which shows superior speed, sensitivity, selectivity, and accuracy, and can avoid laborious and time-consuming separation and purification for targeted compounds. 20 The metabolomicsbased methods can handle the high-throughput analysis of multicomponent and multisample simultaneously. 21 Untargeted metabolomics is an intended comprehensive analysis of all measurable analytes in a sample, which enables the identification of unknown metabolites.…”

“…The metabolomics-based methods can handle the high-throughput analysis of multicomponent and multisample simultaneously . Untargeted metabolomics is an intended comprehensive analysis of all measurable analytes in a sample, which enables the identification of unknown metabolites. , Targeted metabolomics conducts precise quantitative detection for defined groups of chemically characterized and biochemically annotated metabolites . As part of our unremitting efforts to explore flavor compounds from fruit crops, in the current study, an efficient strategy based on the combination of untargeted and targeted metabolomics analyses was proposed to hunt for sweeteners from citrus.…”

MS/MS molecular networking‐guided in‐depth profiling of triterpenoid saponins from the fruit of Eleutherococcus senticosus and their neuroprotectivity evaluation

“…A preliminary LC‐MS analysis showed a large number of TS in ESF, including some minor uncovered compounds. Targeted LC‐MS analysis such as PI‐guided discovery is usually more effective for profiling specific compounds, especially when comprehensive targeted information is available, such as the m / z values of molecular ions 34–36 . Therefore, an MN‐based strategy was applied to track the TS in the total extract of ESF.…”

Nontargeted metabolomics-based multiple machine learning modeling boosts early accurate detection for citrus Huanglongbing

“…The formulas were then submitted to recognize the known compounds, which were matched by the in-house KEGG pathway metabolite structure library. All the annotated metabolites were manually confirmed by their MS/MS fragmentation patterns, as well as other available physicochemical properties such as the retention time of authentic standard and cLogP values [ 36 ].…”