BOOK OF ABSTRACTS 181 IHSS&IWA26 / BRNO / CZECHIA / 23–28 August 2026 Hall A Poster Session / Analysis and Characterization considerable number of potential N6 (and N7 and N8) components showed typical protein-like van Krevelen coordinates (0.2 < O/C < 0.65 and 1.5 < H/C < 2), whereas the corresponding S1 (and N1S and N2S) components showed elsewhere (H/C < 1.5 and O/C < 0.3). In total 960 amino acid combinations could be assigned to the N6, N7 and N8 molecular formulas and supported their reliability versus the corresponding S1, N1S1 and N2S substitutes. As an example, for the component C18H28N6O9 (m = 472.191779 Da) the possible oligopeptide solutions Thr-Ser-HisGlu, Pro-Asp-Asn-Gln, Asp-His-Thr-Thr were found and the corresponding S1 version C26H32O6S1 (m = 472.191961 Da) could be regarded as less reliable. In contrast, C17H28O3S1 (m = 312.175916 Da) had to be regarded as reliable because the corresponding isotopologue C17H28O334S1 was detected. Thus, the corresponding N6 version C9H24N6O6 (m = 312.175734 Da) had to be regarded as less reliable. Addressing formula assignment specific to multiple nitrogen and sulfur atoms can yield broader environmental implication from the analysis of aquacultures, sewage or effluents from waste water treatment plants, which contain biomolecules with both elevated amounts of protein-like material and sulfur-organic components. References 1. Herzsprung et al., Anal. Chem. 87 (2015) 9563. 2. Gao et al., Anal. Chem. 96 (2024) 10210. 3. Herzsprung et al., Anal. Bioanal. Chem. 408 (2016) 2461. 4. Waldemar et al., Sci. Tot. Environ. 954 (2024) 176514. Acknowledgement The funding source identification and acknowledgement may be placed here.
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