MFAssignR: Molecular formula assignment software for ultrahigh resolution mass spectrometry analysis of environmental complex mixtures
Ultrahigh resolution mass spectrometry is widely used for nontargeted analysis of complex
environmental and biological mixtures, such as dissolved organic matter, due to its …
environmental and biological mixtures, such as dissolved organic matter, due to its …
Molecular differences between water column and sediment pore water SPE-DOM in ten Swedish boreal lakes
Boreal lakes are considered hot spots of dissolved organic matter (DOM) processing within
the global carbon cycle. This study has used FT-ICR mass spectrometry and comprehensive …
the global carbon cycle. This study has used FT-ICR mass spectrometry and comprehensive …
Contribution of ketone/aldehyde-containing compounds to the composition and optical properties of Suwannee River fulvic acid revealed by ultrahigh resolution mass …
A prior method of mass labeling ketone-/aldehyde-containing species in natural dissolved
organic matter (DOM) is further developed and applied. This application involved the …
organic matter (DOM) is further developed and applied. This application involved the …
Fast graphically inspired algorithm for assignment of molecular formulae in ultrahigh resolution mass spectrometry
NW Green, EM Perdue - Analytical chemistry, 2015 - ACS Publications
This study focuses on the deterministic task of assigning molecular formulae to exact
masses that are generated by ultrahigh resolution mass spectrometry. A new algorithm …
masses that are generated by ultrahigh resolution mass spectrometry. A new algorithm …
High-Resolution Mass Spectrometry-Based Metabolomics for Increased Grape Juice Metabolite Coverage
The composition of the juice from grape berries is at the basis of the definition of
technological ripeness before harvest, historically evaluated from global sugar and acid …
technological ripeness before harvest, historically evaluated from global sugar and acid …
Data processing and automation in Fourier transform mass spectrometry
B Kanawati, KP Wanczek, P Schmitt-Kopplin - … and Applications of Fourier …, 2019 - Elsevier
Ultra-high resolution mass spectrometers produce large amount of MS and MS/MS spectra,
whose interpretations may not be easy even for experts in this field. Noise among other …
whose interpretations may not be easy even for experts in this field. Noise among other …
Mass differences in metabolome analyses of untargeted direct infusion ultra-high resolution MS data
F Moritz, D Hemmler, B Kanawati, JP Schnitzler… - … and Applications of …, 2019 - Elsevier
Ultra-high resolution mass spectrometers (UHR MS) including Fourier Transform ion
cyclotron resonance (FT-ICR MS) and Orbitrap mass analyzers produce data of ever more …
cyclotron resonance (FT-ICR MS) and Orbitrap mass analyzers produce data of ever more …
[PDF][PDF] Enumerating possible molecular formulae in mass spectrometry using a generating function based method
S Li, B Bohman, D Jayatilaka - MATCH Commun Math Comput …, 2022 - match.pmf.kg.ac.rs
What molecular formulae correspond to a given mass M? Here, we address this problem—
the compomer problem of mass spectrometry. We describe, implement, and test a …
the compomer problem of mass spectrometry. We describe, implement, and test a …
Molecular characterization of free tropospheric organic aerosol and the development of computational tools for molecular formula assignment
SK Schum - 2019 - search.proquest.com
Organic aerosol affects human health and climate. These effects are largely determined by
the composition of the organic aerosol, which is a complex mixture of species …
the composition of the organic aerosol, which is a complex mixture of species …
Determination of Molecular Markers of Vaccinium Berry Standard Reference Materials through Differential Analysis with Ultrahigh Resolution LC/MS
AS Mikolitis - 2021 - search.proquest.com
Blueberries and cranberries have vastly different flavor profiles despite both being a part of
the Vaccinium genus. Their high content of phenolics makes them subjects of interest in …
the Vaccinium genus. Their high content of phenolics makes them subjects of interest in …