Table 1.
UHPLC-QTOF instrument performance parameters
| Analyte | Internal standard used | ESI | Rt [min] |
Linearity | Intra-day instrument performance1, 2 | Inter-day instrument performance | IDL [μg L−1] |
IQL [μg L−1]3 |
|||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Range [μg L−1] |
R 2 | Accuracy [%] |
Precision [%] |
Accuracy [%] |
Precision [%] |
||||||
| 2,4,5 & 2,4,6-trichlorophenol | Triclosan-d3 | neg | 9.1 | 0.23–69.5 | 0.9989 | 92.6 | 8.5 | 90.1 | 12.7 | 0.1 | 0.3 |
| 2-ethylhexanoic acid*4 | Triclosan-d3 | neg | 7.9 | 4–36.5 | 0.9978 | / | / | / | / | / | / |
| 2-naphthol | Bezafibrate-d6 | neg | 7.2 | 0.09–36 | 0.9985 | 95.7 | 10.8 | 77.8 | 17.9 | 0.03 | 0.09 |
| 4,4′-dihydroxybenzophenone | Bezafibrate-d6 | neg | 6.6 | 0.008–21.5 | 0.9994 | 109.2 | 11.4 | 95.2 | 7.8 | 0.02 | 0.08 |
| 4-benzylphenol | Bezafibrate-d6 | neg | 8.3 | 0.1–55 | 0.9995 | 138.8 | 9.8 | 136.6 | 19.4 | 0.03 | 0.1 |
| 4-chloro-3,5-dimethylphenol | 4-Cl-3-methylphenol-d2 | neg | 8.2 | 0.04–27.5 | 0.9995 | 103.4 | 11.8 | 109.7 | 5.1 | 0.01 | 0.04 |
| 4-chloro-3-methylphenol | 4-Cl-3-methylphenol-d2 | neg | 7.5 | 0.06–27.5 | 0.9987 | 120.2 | 2.4 | 120.2 | 3.5 | 0.02 | 0.06 |
| 4-n-nonylphenol | Triclosan-d3 | neg | 17.3 | 0.6–63 | 0.9984 | 123.71 | 4.8 | 124.1 | 8.1 | 0.2 | 0.6 |
| 4-n-octylphenol* | 4-Cl-3-methylphenol-d2 | neg | 17 | 0.1–56 | 0.9954 | / | / | / | / | / | / |
| Atrazine | Atrazine-d5 | pos | 7.5 | 9.9–99 | 0.9984 | 102.1 | 1.6 | 102.1 | 3.3 | 0.01 | 0.03 |
| Benzophenone-1 | 4-Cl-3-methylphenol-d2 | neg | 7.8 | 0.1–31.8 | 0.9975 | 110.4 | 8.3 | 110.4 | 15.0 | 0.03 | 0.1 |
| Benzophenone-2 | Bezafibrate-d6 | neg | 6.8 | 0.1–88 | 0.9996 | 98.0 | 6.5 | 98.0 | 10.1 | 0.04 | 0.1 |
| Benzophenone-3 | BP-3-d5 | pos | 9.2 | 0.6–54 | 0.9992 | 104.4 | 8.4 | 113.5 | 4.2 | 0.2 | 0.6 |
| Benzophenone-4 | Bezafibrate-d6 | neg | 6.5 | 0.1–11 | 0.9972 | 98.5 | 5.1 | 98.5 | 19.5 | 0.04 | 0.1 |
| Benzylparaben | Bezafibrate-d6 | neg | 8.3 | 0.07–33 | 0.9998 | 74.8 | 8.9 | 74.8 | 19.3 | 0.02 | 0.07 |
| Bisphenol A | 4-Cl-3-methylphenol-d2 | neg | 7.7 | 0.3–28.5 | 0.9972 | 114.8 | 2.5 | 114.8 | 9.4 | 0.08 | 0.3 |
| BADGE-2-Cl | 4-Cl-3-methylphenol-d2 | neg | 13.1 | 0.1–4.7 | 0.9989 | 103.4 | 7.1 | 103.4 | 19.9 | 0.03 | 0.1 |
| Butylparaben | Bezafibrate-d6 | neg | 8.3 | 0.1–32 | 0.9994 | 93.4 | 8.8 | 93.4 | 15.6 | 0.04 | 0.1 |
| Chlorothymol | Triclosan-d3 | neg | 10.7 | 0.1–48.5 | 0.9974 | 118.0 | 2.8 | 135.8 | 12.3 | 0.03 | 0.1 |
| dibutyl phthalate | Atrazine-d5 | pos | 13.8 | 1.0–96 | 0.9899 | 81.3 | 3.0 | 80.5 | 3.3 | 0.3 | 1.0 |
| Ethyl paraben | Bezafibrate-d6 | neg | 7.0 | 0.3–100.5 | 0.9993 | 92.9 | 5.7 | 92.9 | 9.0 | 0.08 | 0.3 |
| Galaxolide | Atrazine-d5 | pos | 17.1 | 0.5–51.5 | 0.9967 | 94.6 | 16.3 | 91.8 | 18.0 | 0.1 | 0.5 |
| HBCD* | Bezafibrate-d6 | neg | 17.5 | 0.1–10.5 | 0.9966 | / | / | / | / | / | / |
| MEHP | 4-Cl-3-methylphenol-d2 | neg | 8.7 | 0.3–5.1 | 0.9952 | 90.4 | 7.4 | 90.4 | 19.6 | 0.08 | 0.3 |
| Methylparaben | Bezafibrate-d6 | neg | 6.6 | 0.4–30.5 | 0.9990 | 131.7 | 10.8 | 131.7 | 16.3 | 0.1 | 0.4 |
| Monobutyl phthalate | 4-Cl-3-methylphenol-d2 | neg | 6.7 | 0.2–39 | 0.9969 | 130.3 | 16.4 | 130.3 | 19.0 | 0.05 | 0.2 |
| Musk ketone | 4-Cl-3-methylphenol-d2 | neg | 12 | 0.5–27.5 | 0.9952 | 129.9 | 9.1 | 94 | 12.2 | 0.2 | 0.5 |
| Padimate O | Atrazine-d5 | pos | 17.3 | 0.4–27.4 | 0.9974 | 93.6 | 14.7 | 86.8 | 16.9 | 0.1 | 0.4 |
| Perfluorooctanesulfonic acid | Triclocarban-d4 | neg | 8.9 | 1.0–53 | 0.9993 | 98.9 | 7.2 | 99.2 | 18.6 | 0.3 | 1.0 |
| Perfluorooctanoic acid | Triclocarban-d4 | neg | 8.2 | 1.4–104.5 | 0.9993 | 117.3 | 2.7 | 117.3 | 4.1 | 0.4 | 1.4 |
| PBSA | Triclosan-d3 | neg | 6.1 | 0.2–11 | 0.9974 | 94.0 | 5.8 | 94.0 | 20.0 | 0.05 | 0.2 |
| Prochloraz* | BP-3-d5 | pos | 11.6 | 0.3–12.7 | 0.9970 | 122.1 | 14.4 | 133.9 | 15.4 | 0.09 | 0.3 |
| Propylparaben | 4-Cl-3-methylphenol-d2 | neg | 7.5 | 0.4–31.5 | 0.9996 | 122.0 | 6.3 | 122.0 | 15.7 | 0.1 | 0.4 |
| Tetrabromobisphenol A | Triclocarban-d4 | neg | 15.6 | 0.1–12 | 0.9970 | 171.2 | 9.3 | 171.2 | 9.4 | 0.04 | 0.1 |
| Triclocarban | Triclocarban-d4 | neg | 13.5 | 0.1–27.5 | 0.9993 | 114.5 | 3.5 | 114.5 | 4.6 | 0.03 | 0.1 |
| Triclosan | Triclosan-d3 | neg | 14.6 | 0.1–53.2 | 0.9997 | 102.1 | 2.9 | 102.1 | 7.0 | 0.03 | 0.1 |
| Vinclozolin | 4-Cl-3-methylphenol-d2 | neg | 11.2 | 1.1–88 | 0.9972 | 104.8 | 14.4 | 104.8 | 19.4 | 0.3 | 1.1 |
| Solid analysis | |||||||||||
| 2,4,5 and 2,4,6-trichlorophenol | 4-Cl-3-methylphenol-d2 | neg | 9.1 | 0.3–69.5 | 0.9980 | 83.2 | 8.1 | 83.2 | 19.0 | 0.08 | 0.3 |
| 4-n-nonylphenol | 4-Cl-3-methylphenol-d2 | neg | 17.3 | 0.6–63 | 0.9972 | 123.71 | 4.8 | 128.3 | 11.6 | 0.2 | 0.6 |
| Chlorothymol | 4-Cl-3-methylphenol-d2 | neg | 10.7 | 0.3–48.5 | 0.9971 | 118.7 | 3.0 | 138.3 | 14.5 | 0.1 | 0.3 |
| PBSA | 4-Cl-3-methylphenol-d2 | neg | 6.1 | 0.27–11 | 0.9969 | 111.9 | 6.0 | 94.1 | 19.5 | 0.1 | 0.3 |
| Triclosan | 4-Cl-3-methylphenol-d2 | neg | 14.6 | 0.29–53 | 0.9997 | 122.8 | 2.8 | 122.8 | 7.8 | 0.1 | 0.3 |
Note: 1: concentration levels: 0.1, 5 and 100 ng/mL used for inter- intraday precision and accuracy (only the levels within the linear range were used for each compound). 2: 5 replicates were injected of each concentration level for each day. 3: IQL is set as the lowest linear point that has a precision of < ± 20%. 4; starred compounds denoted quality control criteria out of the acceptance range suggested by the European commission