Ab triple tof 5600 6600 mass spectrometer

SD was purchased from Jiangmen, Guangdong Province, China, and was identified as a plant of the genus mysterious fruit of the Solanaceae by a researcher from Inner Mongolia Medical University. The SD samples are stored at −80°C. Methanol, acetonitrile, and formic acid used in this part of the experiment were chromatographic pure, and the other reagents were analytically pure. AB Triple TOF 5600/6600 Mass Spectrometer (AB SCIEX), Agilent 1290 Infinity LC Ultra-High Pressure Liquid Chromatograph (Agilent), and Low Temperature High Speed Centrifuge (Eppendorf 5430R) were used. Column: Waters, ACQUITY UPLC BEH Amide 1.7 μm, 2.1 mm × 100 mm column; Waters, ACQUITY UPLC HSS T3 1.8 μm, 2.1 × 100 mm column.

A global metabolomics analysis was conducted using gas chromatography-mass spectrometry (GC – MS) and ultra-performance liquid chromatography – MS (UPLC – MS). The GC – MS analysis was performed using an Agilent 7890B gas chromatograph equipped with PEGASUS HT time-of-flight mass spectrometer (LECO). UPLC – MS analysis was conducted using an Agilent 1290 Infinity UPLC and AB triple TOF 5600\/6600 mass spectrometer (AB SCIEX). Sample equivalents were mixed to prepare quality controls (QCs) for the assessment of reproducibility. Detailed sample preparations, GC – MS and UPLC – MS analyses, and QC preparation are described in the Methods section of Supplementary material. Ion peaks generated from GC – MS were annotated with LECO-Fiehn Rtx5 database, whereas those from UPLC – MS were annotated with the MetDDA database and LipDDA methods. All data were log-transformed for normalization before statistical analysis.

This experiment uses UHPLC-Q-TOF MS technology combined with data-dependent acquisition methods to perform full-spectrum analysis of samples. AB Triple TOF 5600/6600 mass spectrometer (AB SCIEX) and Agilent 1290 Infinity LC Ultra High-Pressure Liquid Chromatograph (Agilent) were used to obtain primary and secondary mass spectrometry data at the same time and then used XCMS to perform peak extraction and metabolite identification on the data. Waters, ACQUITY UPLC BEH Amide 1.7 μm, 2.1 mm × 100 mm column and HSS T3 1.8 μm, 2.1 mm × 100 mm column were used as the columns.