MassIVE MSV000097550

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Six different processing techniques for Poria cocos (Schw.) Wolf UPLC-ESI-MS/MS Data (negative)

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Description

We designed a detailed system based on the characteristics of different processing methods to classify Poria cocos into six distinct groups: Sun-dried (SG), Fresh-cut (XQ), Sweat-treated (FH), Steam-treated (ZH), Sweat and steam-treated (FHZH), and Shade-dried (YG). It also contains the negative ion mode mass spectrometry data of quality control samples (QC) and mycelium (FLS) from Shade-dried (YG) group. UPLC-MS/MS analysis was performed on a UPLC system (Acquity I-Class, Waters Corporation, Milford, MA, USA) coupled to a Xevo G2-XS QToF mass spectrometer (Waters Corporation, Manchester, UK), utilizing a Waters HSS T3 column (1.8 micron, 100 mm x 2.1 mm). Solvent A (formic acid/water (0.1:99, v/v)) and solvent B (formic acid/acetonitrile (0.1:99, v/v)) were employed as the mobile phase. The elution gradient used for separation was as follows: 50% solvent B at 0 minutes; 55% solvent B at 4 minutes; 58% solvent B at 9 minutes; 68% solvent B at 10 minutes; 80% solvent B at 15 minutes; 85% solvent B at 17 minutes; returning to 50% solvent B at 18 minutes, which was maintained until 19 minutes. The flow rate was set at 0.3 mL/min, and the column temperature was controlled at 35 degrees Celsius. Mass spectrometric analysis was conducted using a QTOF instrument equipped with a Zspray ESI source (Waters Corporation, Manchester, UK) operating in negative ionization modes. The ESI source operated at 120 degrees Celsius, with a desolvation temperature of 360 degrees Celsius, a spray voltage of 3.5 kV, a cone gas flow of 50 L/h, and a desolvation gas flow of 800 L/h. For the fast data-dependent acquisition (DDA) setting, survey scans were collected over a mass range of 50-800 Da with a scan time of 0.1 seconds. Data were acquired in centroid format, and the maximum allowable mass error was set at ±10 ppm. A dual dynamic collision energy function (6-15 eV for low m/z 50 and 60-90 eV for high m/z 800) was applied for the measurement scans. Leucine-enkephalin solution (10 ng/L) was infused at a constant flow rate of 10 microliter/min for LockSpray calibration. The method was configured to analyze the top five most intense ions from the survey scans, with dynamic exclusion enabled for 15 seconds. This study's doi:10.1016/j.fochx.2026.103609. [doi:10.25345/C5C824S69] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: Poria cocos ; DatasetType:Metabolomics

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Principal Investigators:
(in alphabetical order) 		Dong-Yang An, Zhejiang Chinese Medical University, China
Submitting User: ady_95
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