Mmass compounds search software#
Perform fully untargeted stable isotope labeling experiments, view pathways using Thermo Scientific Metabolika, KEGG, and BioCyc databases, and map detected compounds and associated information directly onto pathways.Ĭompound Discoverer software detects unknown metabolites of drugs of abuse and structurally related designer drugs for example many new drugs contain similar structures, and the Compound Class Scoring Node can be used to score detected compounds against common fragment ions, therefore aiding the ability to find new drugs based upon characteristic fragments. See trends in compounds across a study or identify the key compounds of interest between multiple sample groups using interactively linked displays, including volcano plots, PCA, PLS-DA, and hierarchical clustering. Quickly find significant statistical differences between sample sets. Rapidly and confidently identify your unknowns with mass spectral library searching against both the online mzCloud spectral library, in-house Thermo Scientific mzVault spectral libraries, and numerous built-in annotation tools. Share results with customizable reporting, or transfer your results directly to Thermo Scientific TraceFinder software for targeted analyses. Take control of your data analysis and processing with custom workflows, flexible visualization, and grouping tools. Let us know how this access is important for you.Find real differences in your sample sets Many UC-authored scholarly publications are freely available on this site because of the UC's open access policies. The relative contribution of polysaccharides was highest in late spring and summer in the smallest particle size fraction characterized (< 180 nm). The recalcitrant factor showed little seasonal variability in its contribution to primary marine aerosol. An unquantified recalcitrant factor of highly thermally stable organics showed significant correlation with FTIR-measured alcohol groups, consistently the main organic functional group associated with sea spray aerosol.We hypothesize that this factor represents recalcitrant dissolved organic matter (DOM) in seawater and that by extension alcohol functional groups identified in marine aerosol may more typically represent recalcitrant DOM rather than biogenic saccharide-like material, contrary to inferences made in previous studies.
Aerosol polysaccharide V sodium mass ratios were consistently higher in ambient air than in the artificially generated sea spray, and we hypothesize that this results from more rapid wet deposition of sodium-rich aerosol. Among these is a polysaccharide factor representing about 10 %-30% of the submicron organic aerosol mass. A positive matrix factorization (PMF) analysis identified several characteristic aerosol components in the TDCIMS mass spectra.
Mmass compounds search Offline#
Samples were analyzed by Fourier transform infrared spectroscopy (FTIR), extracted into water, and analyzed by offline thermal desorption chemical ionization mass spectrometry (TDCIMS) and ion chromatography (IC). Size-segregated discrete aerosol filter samples were collected at sea in the North Atlantic from both ambient aerosol and artificially generated primary sea spray over four cruises timed to capture the seasonal phytoplankton bloom dynamics.
We report results from a novel approach to characterize and quantify organic components of the marine aerosol. The composition of organic compounds in marine aerosols and the relative contributions of primary and secondary organic compounds remain uncertain.
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