Table 1

Entry	Location	Formula	Mass	Monoisotopic mass	Number of results	Type of lead structures
1	Huililco	C₁₇H₂₈O₃S₁	312.4674	312.175903	68	lipid
2	Huililco	C₂₇H₄₀O₅N₄	500.6303	500.299866	137	N-heterocyclic, non-natural product
3	Huililco	C₁₈H₂₂O₁₀	398.3613	398.121307	32	glycosylated aromatic natural product
4	Huililco	C₁₆H₁₈O₉	354.3087	354.095093	73	glucosylated cinnamic acid
5	Huililco	C₂₂H₃₀O₈	422.4688	422.194061	112	polyether
6	Molco	C₂₆H₄₅O₆N₁S₁	499.7036	499.296753	51	oxocholan amide sulfonic acid
7	Molco	C₂₇H₄₀O₆N₄	516.6297	516.29480	75	oxazol amide, pyridinetrione
8	Molco	C₂₇H₄₈O₈S₁	532.7302	532.307007	26	oxocholan sulfonic acid
9	Molco	C₂₆H₄₅O₈N₁S₁	531.7024	531.28656	4	oxocholan amide sulfonic acid
10	Molco	C₂₂H₃₄O₅	378.5024	378.240631	346	cholan, decaline
11	Peuco	C₂₇H₄₀O₅N₄	500.6303	500.299866	137	N-heterocyclic, non-natural product
12	Peuco	C₂₁H₁₇O₁₀N₁	443.3604	443.085236	5	2,6-pyridinedicarboxylate
13	Peuco	C₂₀H₁₇O₁₀N₁	431.3497	431.085236	5	natural product, polyester
14	Peuco	C₂₆H₄₁O₆N₁S₁	495.6718	495.265459	6	macrocycle, oxocholane amide sulfonic acid
15	Peuco	C₂₃H₃₁O₁N₁S₃	433.6933	433.156780	0	new compound
16	Niltre	C₂₆H₄₅O₆N₁S₁	499.7036	499.296753	51	oxocholane amide sulfonic acid

Noticeable mass peaks with large amplitudes, characteristic of the respective effluent SPE-DOM, annotated by means of compositional match using ChemSpider software (www.chemspider.com). The main lead structures are indicated, suggesting anthropogenic origins for many of these compounds (suspected xenobiotic compounds of anthropogenic origin are printed in italic font).

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