ABSTRACT: This dataset is used for the research work entitled "In-depth analysis of molecular network based on liquid chromatography coupled with tandem mass spectrometry in natural products: importance of redundant nodes discovery". It mainly consists of two parts: Discovery of redundant nodes and Reasons of redundant nodes. The Discovery of redundant nodes section includes MS/MS data of five different natural products with distinct compound structures, namely Ginseng Radix et Rhizoma (GR): GR-neg, Epimedii Folium (EF): EF-neg, Salviae Miltiorrhizae Radix et Rhizoma (SM): SM-neg, Bufonis Venenum (BV): BV-pos, and Aconiti Lateralis Radix Praeparata (AL): AL-pos. The Reasons of redundant nodes section includes MS/MS data of GR and EF at different sample concentrations, as well as BV at different mass spectrometry parameters, such as 1-fold, 2-fold, and 10-fold dilution of GR samples (GR-1x dilution, GR-2x dilution, GR-10x dilution), 1-fold, 2-fold, and 10-fold dilution of EF samples (EF-1x dilution, EF-2x dilution, and EF-10x dilution), BV at different capillary voltages (BV-capillary-1500V-(1-6), BV-capillary-1750V-(1-6), BV-capillary-2000V-(1-6), BV-capillary-2250V-(1-6), and BV-capillary-2500V-(1-6)), BV at different sample cone voltages (BV-SC-10V-(1-6), BV-SC-20V-(1-6), BV-SC-30V-(1-6), BV-SC-40V-(1-6), and BV-SC-50V-(1-6)), and BV at different desolvation temperatures (BV-DT-300-(1-6), BV-DT-400-(1-6), and BV-DT-500-(1-6)).
Yuhao Zhang 
