Dataset for "Automated magnetic solid-phase extraction based on hydrophilic-lipophilic balanced materials for LC-MS/MS determination of macrolides in pork"

Research Data for "Automated magnetic solid-phase extraction based on hydrophilic-lipophilic balanced materials for LC-MS/MS determination of macrolides in pork"
Author: Ruiguo Wang
Email: [e-mail]
Journal: Talanta

1. Dataset Overview
This dataset contains the raw data, original source data for figures/tables, and instrument method files supporting the findings of the manuscript submitted to Talanta. The data demonstrates the reproducibility of the developed automated magnetic solid-phase extraction (MSPE) method coupled with LC-MS/MS for determining macrolides in pork.

2. File Descriptions

A. Representative raw Instrument Data (LC-MS/MS)
These folders contain the original raw data files (.raw) generated by the Waters TQS mass spectrometer.
- **Raw_LCMSM_Sample spiked high conc_01.raw**: Raw data for the pork sample spiked with a high concentration of macrolides.
- **Raw_LCMSM_Sample spiked low conc_01.raw**: Raw data for the pork sample spiked with a low concentration of macrolides.
- **Raw_LCMSM_Sample spiked middle conc_01.raw**: Raw data for the pork sample spiked with a medium concentration of macrolides.

B. Method Optimization Images
These PNG images show the chromatograms obtained during the optimization of the reconstitution solution.
- **Chrom_inj_5 uL in [XX]% MeOH.png**: Chromatograms comparing the peak shapes of analytes using different percentages of Methanol (10%, 20%, 50%, 100%) as the reconstitution solution. These images support the optimization results discussed in the manuscript.

C. Source Data for Figures and Tables
Excel files containing the numerical data used to generate the graphs and tables in the manuscript.
- **Figure1_original data.xlsx**: Source data for Figure 1.
- **Figure3_original data.xlsx**: Source data for Figure 3.
- **Figure4_original data.xlsx**: Source data for Figure 4.
- **Figure5_original data.xlsx**: Source data for Figure 5.
- **Figure6_chromatography_data.csv**: Comma-separated values file containing the chromatographic data points for Figure 6.
- **Table 3_original data.xlsx**: Source data for Table 3.
- **Matrix-matched calibration curve data.xlsx**: Raw peak area data and calculated concentrations used to construct the matrix-matched calibration curves for quantitative analysis.

D. Instrument Method Files
Files required to reproduce the exact instrumental conditions.
- **LC method.ftn / LC method.whp**: Liquid Chromatography method files (Waters format) containing parameters for the pump, autosampler, and column oven.
- **MS method.exp**: Mass Spectrometry method file (Waters format format) containing parameters for the ion source, scan modes (MRM transitions), and voltages.
- **Tuning method.ipr**: Instrument tuning parameters file to ensure mass accuracy and sensitivity.

3. How to Open Raw Data
The `.raw` files can be opened using Waters masslynx software.