Comprehensive structural characterization of phenolics in litchi pulp using tandem mass spectral molecular networking

Screening Immunoactive Compounds of Ganoderma lucidum Spores by Mass Spectrometry Molecular Networking Combined With in vivo Zebrafish Assays

“…Based on the established Global Natural Product Social Molecular Networking (GNPS, https://gnps.ucsd.edu) web platform (Wang et al, 2016a), researchers can elucidate the structure of analogs and structurally related molecules based on their MS spectra (Yang et al, 2013;Allard et al, 2016). Despite the great potential to aid dereplication and structure elucidation, the utility of molecular networking in herbal medicine discovery just begins (Ge et al, 2017;Li et al, 2018;Qiang et al, 2019), and improvements in method performance (e.g., in terms of algorithm, and bioactivity relevance) are still necessary.…”

In situnet fishing of α-glucosidase inhibitors from evening primrose (Oenothera biennis) defatted seeds by combination of LC-MS/MS, molecular networking, affinity-based ultrafiltration, and molecular docking

“…Recently, LC-MS/MS-based molecular networking as an untargeted metabolite analysis tool is widely used for a fragment-based structural annotation of components in complex extracts. In previous studies, H. Y. Wu et al 37 discovered and isolated camelligananoside A as a new neolignan glycoside from Huangjinya green tea guided by LC-MS/MS molecular networking, Q. Lyu et al 38 comprehensively characterized the phenolics in litchi pulp using molecular networking, Z. Z. Bai et al 39 rapidly identified 130 metabolites from Paeonia ostii and Paeonia rockii based on MS/MS molecular networking, and X. Zhao et al 40 identified the differential metabolites in the Morchella sp.…”

An integrated approach for structural characterization of Gui Ling Ji by traveling wave ion mobility mass spectrometry and molecular network

“…With the aid of GNPS, thousands of molecules can be systematically compared and classied based on structural similarity and enable the dereplication of natural products in a high throughput manner. 9,10 By integrated minor trace compounds acquisition method, molecular network has become an accelerator for autodeconvolution of data and interpretation.…”