Diagnostic Fragmentation Pathways for Identification of Phthalate Metabolites in Nontargeted Analysis Studies

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Prioritized candidate molecular ions in the pooled urine spiking Level-0 (Table S1) prioritized candidate molecular ions in the pooled urine spiking Level-I (Table S2), prioritized candidate molecular ions in the pooled urine spiking Level-II (Table S3), and TIC and EICs of m/z 121.0295 from the DIA data of the pooled urine sample spiked with 100 ppb of 24 metabolite standards at a collision energy of 0, 10, 20, and 40 V, respectively (Figure S1)

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Name Format Description Link
js2c00052_si_001.pdf PDF js2c00052_si_001.pdf Open resource
Supplementary Tables - Diagnostic Fragmentation Pathways_revised-clean.xlsx XLS Supplementary%20Tables%20-%20Diagnostic%20Fragmentation%20Pathways_revised-clean.xlsx Open resource
Table 1 - summary of common fragments.xlsx XLS Table%201%20-%20summary%20of%20common%20fragments.xlsx Open resource

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