DOI: 10.57760/sciencedb.07845
title: Metabolomics data
title: Metabolomics data

description: We collected the blood of 77 patients with mushroom poisoning, 28 patients with sepsis, and 31 healthy individuals for metabonomic analysis by LC-MS. method: Liquid chromatography conditions: chromatographic column: Volterra ACQUITY UPLC BEH C18 1.7um, 2.1mm * 100mm; For ESI+mode and UPLC high-speed steel T3 column (2.1 mm × 100 mm, 1.8 micron) ESI mode. In ESI+mode analysis, the mobile phase A of the binary gradient elution system is ultrapure water (0.1% formic acid, v/v). Mobile phase B: acetonitrile (0.1% formic acid, v/v); Column temperature: 40 ° C; Flow rate: 040 ml/min; Injection volume: 5uL. Separation is accomplished through the following steps: Gradient: B starts at 5%, maintains the composition at 100% B for 1-24 minutes to 100%, and then holds for 27.5-27.6 minutes, 100-5% B, and 27.6-5% B for 30 minutes. In ESI mode analysis, mobile phase A consists of water and 6.5 mM ammonium acetate, and mobile phase B contains a 95% methanol solution of 6.5 mM ammonium acetate. Separation is accomplished through the following gradients: B starts at 5%, reaches 18% in 100-1 min, the composition remains at 100% B for 18.1-22 min, and then remains at 22% B for 22-1.100 min, 5-22% B, and 1.25-5 min. Mass spectrum conditions: QE MS, ESI ion source, full scan mode, scan range: 70-1000m/z, mass spectrum resolution set to 70000, complete MS/MS scan resolution set to 17500. Sheath gas velocity (sheath): 35mL/min, auxiliary gas velocity (auxiliary): 8mL/min, capillary temperature: 350 ° C, auxiliary heating temperature: 350 ° C. Metabolomic data were obtained using XCMS software (1.50.1). The preprocessing process generates a data matrix that includes retention time, mass charge ratio (m/z) values, and peak intensity. All ions are normalized to the total peak area of each sample. If more than 85% of the variables in two subsets of a variable are non zero variables, the variable will remain in the dataset. Otherwise, the variable will be eliminated. OSI。 SMMS (1.0 vision, Dalian Chemical Data Solutions Information Technology Co., Ltd.) is used for peak labeling. The data were analyzed through the EMBL-EBI metabolic database. The Graphpad prism is used to analyze and plot data for different metabolites. File: All data is stored in an Excel spreadsheet, with the first green row displaying the names of different metabolites and the blue column displaying the patient type. The data is the peak area value detected by the original mass spectrometry method. 
description: We collected the blood of 77 patients with mushroom poisoning, 28 patients with sepsis, and 31 healthy individuals for metabonomic analysis by LC-MS. method: Liquid chromatography conditions: chromatographic column: Volterra ACQUITY UPLC BEH C18 1.7um, 2.1mm * 100mm; For ESI+mode and UPLC high-speed steel T3 column (2.1 mm × 100 mm, 1.8 micron) ESI mode. In ESI+mode analysis, the mobile phase A of the binary gradient elution system is ultrapure water (0.1% formic acid, v/v). Mobile phase B: acetonitrile (0.1% formic acid, v/v); Column temperature: 40 ° C; Flow rate: 040 ml/min; Injection volume: 5uL. Separation is accomplished through the following steps: Gradient: B starts at 5%, maintains the composition at 100% B for 1-24 minutes to 100%, and then holds for 27.5-27.6 minutes, 100-5% B, and 27.6-5% B for 30 minutes. In ESI mode analysis, mobile phase A consists of water and 6.5 mM ammonium acetate, and mobile phase B contains a 95% methanol solution of 6.5 mM ammonium acetate. Separation is accomplished through the following gradients: B starts at 5%, reaches 18% in 100-1 min, the composition remains at 100% B for 18.1-22 min, and then remains at 22% B for 22-1.100 min, 5-22% B, and 1.25-5 min. Mass spectrum conditions: QE MS, ESI ion source, full scan mode, scan range: 70-1000m/z, mass spectrum resolution set to 70000, complete MS/MS scan resolution set to 17500. Sheath gas velocity (sheath): 35mL/min, auxiliary gas velocity (auxiliary): 8mL/min, capillary temperature: 350 ° C, auxiliary heating temperature: 350 ° C. Metabolomic data were obtained using XCMS software (1.50.1). The preprocessing process generates a data matrix that includes retention time, mass charge ratio (m/z) values, and peak intensity. All ions are normalized to the total peak area of each sample. If more than 85% of the variables in two subsets of a variable are non zero variables, the variable will remain in the dataset. Otherwise, the variable will be eliminated. OSI。 SMMS (1.0 vision, Dalian Chemical Data Solutions Information Technology Co., Ltd.) is used for peak labeling. The data were analyzed through the EMBL-EBI metabolic database. The Graphpad prism is used to analyze and plot data for different metabolites. File: All data is stored in an Excel spreadsheet, with the first green row displaying the names of different metabolites and the blue column displaying the patient type. The data is the peak area value detected by the original mass spectrometry method.