| Item | Details |
|---|---|
| Platform | AB Sciex QTRAP 6500+ / 7500+ dual platforms |
| Quantification | Absolute quantification against a 639-compound standards library; LOD down to 0.002 ng/mL |
| QC | Total ion chromatograms (TIC); RSD distribution in QCs and QC-sample correlations (generally > 0.99); internal standards and calibration curves applied throughout |
| Custom Analyses | Multivariate association of exposure levels with region / age / BMI / clinical indicators; intergroup comparison and population stratification |
| Mixture Joint Effects | WQS (weighted quantile sum regression) · BKMR (Bayesian kernel machine regression) · q-gcomp (quantile g-computation) |
| Category | Coverage | Representative Compounds |
|---|---|---|
| Pesticides | 353 | Chlorpyrifos, imidacloprid, atrazine, fipronil, spinosad A, etc.; 71 subcategories including 50 organophosphate insecticides, 28 triazole fungicides and 23 triazine herbicides |
| Human Pharmaceuticals | 110 | Ibuprofen, sildenafil, nifedipine, carbamazepine, oseltamivir, etc.; 21 subcategories including 14 β2-agonists, 12 hypoglycemics and 12 antihistamines |
| Industrial / Environmental Pollutants | 97 | PFOA, PFOS, bisphenol A, rhodamine B, etc.; 7 subcategories including 23 phthalates, 22 perfluorinated compounds and 21 phenolic pollutants |
| Human / Veterinary Drugs | 35 | Azithromycin, sulfamethoxazole, progesterone, albendazole, ractopamine, etc.; 9 subcategories including 6 sex hormones, 6 NSAIDs and 6 antibiotics |
| Veterinary Drugs | 24 | Fenbendazole, florfenicol, flumequine, nicarbazin, chloramphenicol, etc.; 10 subcategories including 7 anthelmintics, 4 quinolones and 3 anticoccidials |
| Lifestyle Exposants | 20 | Nicotine, DEET, sucralose, triclocarban, 2-ethylhexyl salicylate, etc.; 4 subcategories including 13 cosmetics and 5 food additives |
| Module | Core Methods & Key Outputs |
|---|---|
| Data Preprocessing | Project data curation and exposure quantification matrix construction; group-comparison plan (single-group baseline / two-group comparison / multi-group stratification) — master quantification table |
| Quality Control | Total ion chromatograms (TIC); RSD distribution and QC-sample correlations (generally > 0.99); internal standards and calibration curves throughout — TIC plots, RSD distribution plots |
| Detection Statistics | Detection counts and rates by compound category; exposure clustering and concentration distribution — detection statistics tables, cluster plots, violin plots |
| Multivariate Stats | PCA for group separation and outlier inspection; OPLS-DA discriminant modeling with 200 permutation tests — score plots, permutation-test plots |
| Differential Exposure Screening | Fold change combined with p/q values to screen up- and down-regulated exposures — volcano plots, Z-score plots, differential exposure lists |
| Differential Exposure Analysis | Hierarchical clustering, boxplots, lollipop charts and Spearman correlation analysis — cluster heatmaps, boxplots, lollipop charts |
| Custom Association Analysis | Multivariate association of exposure with region / age / BMI / clinical indicators; population stratification — stratified violin plots, forest plots |
| Mixture Joint Effects | WQS regression; BKMR; quantile g-computation — WQS weight plots, BKMR figure sets |








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