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. Author manuscript; available in PMC: 2020 May 20.
Published in final edited form as: Environ Sci Technol. 2017 Jan 18;51(3):1553–1561. doi: 10.1021/acs.est.6b05352

Figure 1.

Figure 1.

Top: Flowchart of the extraction and data evaluation method. “Unique” compounds were only detected on either LC-QTOF-MS or GC-QTOF-MS, not on both instruments. TP: transformation product. Bottom: Example of two identified compounds in real environmental samples by the two suspect screening methods. Left: LC-QTOF-MS All-Ions workflow. Shown is an overlay plot of the exact mass of the [M+H]+ and the four main fragments of fluridone from the spectral library. Inset: comparison of theoretical and measured isotope pattern. Right: GC-QTOF-MS retention time locking workflow. Shown is an overlay plot of the five main fragments of cis-/trans-propiconazole in EI mode together with the library retention time (RT) information.