Open access atmospheric pressure chemical ionization Mass spectrometry for routine sample analysis

Abstract

We report the introduction and use of an atmospheric pressure chemical ionization liquid chromatography-mass spectrometry instrument that has been designed specifically for use by the synthetic chemist on an open access, walk-in basis. This instrument has been configured with an easy-to-use sample log-in terminal that requires the user to provide only a sample identification number and a user name. Sample analysis takes approximately 4 min and provides the synthetic and medicinal chemist with rapid and reliable mass spectrometry analysis. Since installation of the system, it has analyzed an average of about 80 samples per day and has the capacity to run over 100 samples per day without the intervention of a specialist operator. This capability has eliminated the need for an operator to analyze routine samples and allows the mass spectroscopist more time to deal with problem solving.

Quantitative evaluation of the binding of phenylarsenic species to glutathione, isotocin, and thioredoxin by means of electrospray ionization time‐of‐flight mass spectrometry

“…1 in comparison to the [M + H] + intensity of the peptide GSH. These curves exhibit a saturation characteristic which is typical for a quantitative analysis using ESI or atmospheric pressure chemical ionization (APCI) 20, 21. A linear range exists between 10 and 50 µ M only ( R 2 = 0.9777 for PAA, 0.9955 for p ‐APAA, 0.996 for o ‐APAA, and 0.9395 for GSH).…”

Results from a bench marking survey on supporting chemical synthesis and structural elucidation in the pharmaceutical industry

“…The dramatic advances in less expensive bench-top instruments have obviated the need to dedicate research instruments for performing routine analyses such as nominal molecular weight determination of synthetic compounds for evaluation as potential drugs. The impact on routine chemical synthesis support by development of open access (OA) software integrated with LC/MS systems has been reported in the literature [2][3][4][5][6].…”

“…The survey was comprised of five sections with seven to eight questions covering (1) background information and four distinct topics including (2) open access LC/ MS, (3) automated purification via LC/MS, (4) organic structure elucidation, and (5) HTP LC/MS analysis of libraries or large compound collections. The primary group targeted was analytical experts having direct experience with small molecule synthesis support or structure elucidation, in either drug discovery, process or development support roles.…”

Automated mass correction and data interpretation for protein open‐access liquid chromatography‐mass spectrometry

“…The robustness and reliability of LC/MS systems, along with dedicated software, have enabled the development of open‐access (OA) LC/MS. Such instrumentation supports a wide variety of activities conducted within pharmaceutical research including high‐throughput, combinatorial, and process chemistry 4–8. The OA paradigm has expanded beyond analytical LC/MS to include purification9 and flow‐probe NMR 10.…”