{"database":"NODE","file_versions":[],"scores":null,"additional":{"omics_type":["Metabolomics"],"submitter":["Wancheng Chen"],"experiment_platform":["Xevo G2-XS QTof"],"full_dataset_link":["https://www.biosino.org/node/experiment/detail/OEX00029033"],"sample_count":["161"],"tissue":["['leaf']"],"experiment_protocol":["Sample collection: Each plant was separated into root and leaf samples, with 7 biological replicates. Roots and leaves of each species were freeze-dried under vacuum (Scientz-100F). The freeze-dried samples were crushed into homogeneous powders and sieved with a 40-mesh sieve. Extraction: Under ultrasonication (53 kHz, 350 W) for 60 min at room temperature, each powder (0.01 g) was dissolved in 1 mL of 70% methanol (v/v) that contained warfarin (5 μg/mL) as an internal reference. Following centrifugation as 14,500g at room temperature, all supernatants were stored at 4C until analysis by ultra-HPLC coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS). A quality-control sample was prepared by mixing 10 µL of each individual sample to produce a pooled sample that was analyzed to assess the inherent drift of the UPLC-QTOF-MS system. Chromatography: The samples were analyzed using an ACQUITY UPLC system (Waters, Milford, MA, USA) equipped with a binary pump, autosampler, and column compartment. Analytes in each sample were separated using an ACQUITY UPLC T3 column (2.1 mm x 100 mm, 1.8 µm) at constant temperature (40°C) with two mobile-phase solvents: A (0.1% v/v formic acid in water) and solvent B (0.1% v/v formic acid in acetonitrile). Gradient elution was as follows: 2–15% B over 0–5 min; 15–30% B over 5–22 min; 30–60% B over 22–25 min; 60–95% B over 25–30 min; 95% B over 30–33 min; and final re-equilibration at 2% B for 3 min. The injection volume was 2 µL, and the flow rate was 0.40 mL/min. Mass spectrometry: A mass spectrometer (Xevo G2 - XS QTOF; Waters) was coupled to an electrospray ionization source. Mass spectrometry was performed using the following instrument settings: sample cone, 30 V; source temperature, 150°C; desolvation temperature, 450°C; cone gas flow, 50 L/h; desolvation gas flow, 600 L/h; and capillary voltage, 2.5 kV (negative-ion mode) or 3 kV (positive-ion mode). The mass range was set to 50–1200 with a 0.35 s scan time. The low collision energy was set at 6 eV (negative-ion mode) or 10 eV (positive-ion mode), and the high collision energy was set at 30 eV (negative and positive-ion mode). Leucine enkephalin (2 ng/µL) was used as an external reference for mass correction during data collection, and sodium formate (0.5 mM) was used to calibrate the instrument. The mass spectra were viewed and analyzed using MassLynx v.4.2 (Waters, Milford, MA, USA). Data transformation: The raw data were first converted to mzML format (Ms convert Gui) and the analysis base file (ABF Converter; https://www.reifycs.com/AbfConverter/) format before being imported into the MS-DIAL v4.60 software."],"taxonomy":["['Scutellaria']"],"repository":["NODE"],"additional_accession":[]},"is_claimable":false,"name":"Scutellaria_Leaf_Pos","description":"Scutellaria_Leaf_Pos","dates":{"publication":"2024-08-28","submission":"2024-08-22"},"accession":"OEX00029033","cross_references":{"NODE":["OEP00004992"]}}