Publications by authors named "O David Sparkman"
Creating a Searchable Chromatographic Database with the NIST Mass Spectral Search Program.
J Am Soc Mass Spectrom
April 2022
The NIST Mass Spectral Search Program can be used to create a searchable database of chromatograms. This approach was tested for a small database of chromatograms for gin volatiles and for a database of insect cuticular hydrocarbons with retention times and reconstructed total ion current chromatographic peak areas substituted for / values and abundance. The Identity search permitted matching of randomly selected chromatograms against the database with good results.
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- - The effectiveness of ambient analysis using DART (Direct Analysis in Real Time) ion sources is influenced by fluid dynamics and mass transport in the sample area, which was visualized using the Schlieren technique to study gas flow profiles.
- - Experiments tested different configurations like skimmer or capillary inlets and various sampling methods, revealing how the helium flow pattern behaves under specific conditions and settings.
- - Results indicated that while DART sources generate a smooth helium stream up to 8 cm, flow disturbances vary based on probe size, placement, and gas settings, highlighting the need for optimization to enhance performance.
Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.
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- - DART mass spectrometry is a new technique enabling quick analysis of complex samples, and researchers are exploring its ability to detect nucleotides and nucleosides using the DART-AccuTOF instrument.
- - Experimentally, intact nucleotides were not detected; instead, they fragmented, producing a common fragment ion, [C(5)H(5)O](+), indicating intricate reactions in the DART ion source.
- - Unlike nucleotides, nucleosides were detected in intact form, and their fragmentation differed, highlighting the significant role of the phosphate group in nucleotide reactions.