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Milestone - Enhanced NOM workflow (2.16) DUE #456

Open ssarrafan opened 8 months ago

ssarrafan commented 8 months ago

Enhanced natural organic matter workflow The natural organic matter (NOM) direct infusion Fourier transform mass spectrometry (DI FT-MS) workflow has been applied to diverse environmental samples. However, in the last decade, incorporation of liquid chromatography (LC) for high-resolution LC-MS analysis of complex mixtures of small molecules has become more prominent in the NOM research community (20-22). Widening the NOM analytical window to include LC will enable enhanced molecular search space and molecular characterization. We will add the capability to process LC FT-MS data for the current NOM workflow (enviroMS). In addition, we will include an algorithm developed at EMSL that merges orthogonal analysis of atomic composition by Inductively Coupled Plasma Mass Spectrometry (ICP-MS) analysis with LC FT-MS (23, 24), which will enable the analysis of organometallics, and increase the confidence of identification of phosphorus- containing molecules and molecules with monoisotopic atoms (e.g., iodine) (Milestone 2.16).

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ssarrafan commented 5 months ago

Rescheduled to 2025 Q1 per the milestones spreadsheet. Moving this to Q1 of 2025.