A working resolution of ca. 100,000 at m/z 200. Resolution is scan time dependent, with longer scan times yielding higher Bicalutamide Casodex resolution. Exactive Orbitrap MS System is a stand alone mass analyser, designed mainly for high accuracy, high resolution full scans. A rapid, versatile and selective multi method was developed and validated for screening purposes for 43 pharmaceuticals and fungicides in surface or groundwater, in one single full scan MS method, using U HPLC Exactive Orbitrap MS at 50,000 resolution. While detection is based on accurate masses and retention times, no compound specific experimental optimization is required, like in LC MS/MS analysis. Ultra high resolution and reliable mass accuracy of Exactive Orbitrap support a wide range of applications, including multi methods with an increased number of target compounds that can be detected in one analysis. This study demonstrates that Exactive Orbitrap MS enables the detection of different classes of pharmaceutical and fungicides residues in water in a concentration range of 10 100 ng L1. Experimental Chemicals, reagents and materials A mixture of different compounds belonging to different drugs classes, e.g. benzimidazoles, tranquillizers, macrolides, sulfonamides, quinolones, penicillins, tetracyclines, non steroidal anti inflammatory drugs, antiepileptics, lipid regulators, azole antifungals, polyene antifungals, mitotic inhibitors, azole biocides and fungicides, were chosen to develop the methods. All standards used were purchased from Sigma Aldrich Chemie B.V. with the exception of natamycin, provided by Fluka, carazolol, bromuconazole and clofibric acid, which were provided by Dr. Ehrenstorfer and itraconazole, terconazole, ketoconazole and fluconazole, which were purchased from EDQM. Methanol, acetonitrile and acetone were purchased from Biosolve B.V. Milli Q water was obtained from a Milli Q Gradient A10 water purification system.
Acetic acid, formic acid and EDTA were purchased from VWR International B.V. sodium hydroxide was from Merck B.V. and ammonium formate was from Sigma Aldrich Chemie B.V. Solid phase extraction Strata X cartridges were purchased from Phenomenex. Stock solutions Stock solutions of 1 mg mL1 were prepared by accurately weighing an adequate amount of standard and dissolving in an appropriate solvent. The stock solutions were stored at 20. The individual stock solutions were usedto prepare working mix solutions of 0.02, 0.2 and 0.8 g mL1, by diluting the appropriate volume of the stocks in methanol, in order to obtain the desired concentrations for spiking over the range 10 100 ng L1. The working mix solutions for spiking were stored at 20 for no longer than 4 months. Samples were selected to provide real environmental matrixes for method development and validation. Random samples included Fingolimod those of rivers, lakes, sewage and groundwater, from areas with important agricultural activities in the Netherlands. Fifteen water samples of 2 L volume each were collected. To ensure the integrity of samples and to avoid contamination, clean laboratory bottles were used for sampling. The water samples were filtered through a paper filter and stored at 4 in refrigerators until they were extracted. The maximum storage time was 10 days. Methods Sample clean up and conc.