Here a scan range of 60-900 m/z, a MS1 resolution of 120,000 at 200 m/z, a maximum injection time of 70 ms, and an automatic gain control target of 1.0 × 106. For the top 5 data dependent analysis scans a resolution of 30,000 at 200 m/z, maximum injection time of 70 ms, 1.0 Da isolation window, and 30 (N)CE were used. For further details on instrumental settings and sample preparation see the citation. For the showcase of workflow I, only the measurements acquired in positive mode of the 4 most frequently measured locations were used, which were location 1 to 4. Location 1 came from south west Luxembourg, location 2 and 3 from the middle, and location 4 from the east of Luxembourg. Each location was sampled 10 to 11 times in a time span of April 2019 till September 2020.