A New Formula Assignment Algorithm for the Deuterium Labeled Ultrahigh-Resolution Mass Spectrometry: Implications to the Formation Mechanism of Halogenated Disinfection Byproducts
Abstract:The ultrahigh-resolution mass spectrometry (UHR-MS) coupled with isotope labeling is of increasing attentions in elucidating the transform mechanisms of dissolved organic matter (DOM).However, there is a paucity of automated formula assignment algorithm applicable to halogenated disinfection byproducts (Xn-DBPs), particurally for iodinated organic compounds, and deuterated DOM . Herein, for the first time, we have developed a novel formula assignment algorithm based on deuterium-labeled UHR-MS, namely FTMSDeu,… Show more
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