Bristow, Tony; Harrison, Mark; Sims, Martin published the artcile< The application of gas chromatography/atmospheric pressure chemical ionisation time-of-flight mass spectrometry to impurity identification in Pharmaceutical Development>, Synthetic Route of 112-63-0, the main research area is gas chromatog atm pressure impurity pharmaceutical development.
Accurate mass measurement (used to determine elemental formulas) is an essential tool for impurity identification in pharmaceutical development for process understanding. Accurate mass liquid chromatog./mass spectrometry (LC/MS) is used widely for these types of analyses; however, there are still many occasions when gas chromatog. (GC)/MS is the appropriate technique. Therefore, the provision of robust technol. to provide accurate mass GC/MS (and GC/MS/MS) for this type of activity is essential. In this report we describe the optimization and application of a newly available atm. pressure chem. ionization (APCI) interface to couple GC to time-of-flight (TOF) MS. To fully test the potential of the new interface the APCI source conditions were optimized, using a number of standard compounds, with a variety of structures, as used in synthesis at AstraZeneca. These compounds were subsequently analyzed by GC/APCI-TOF MS. This study was carried out to evaluate the range of compounds that are amenable to anal. using this technique. The range of compounds that can be detected and characterized using the technique was found to be extremely broad and include apolar hydrocarbons such as toluene. Both protonated mols. ([M + H]+) and radical cations (M+.) were observed in the mass spectra produced by APCI, along with addnl. ion signals such as [M + H + O]+. The technique has been successfully applied to the identification of impurities in reaction mixtures from organic synthesis in process development. A typical mass accuracy of 1-2 mm/zunits (m/z 80-500) was achieved allowing the reaction impurities to be identified based on their elemental formulas. These results clearly demonstrate the potential of the technique as a tool for problem solving and process understanding in pharmaceutical development. The reaction mixtures were also analyzed by GC/electron ionization (EI)-MS and GC/chem. ionization (CI)-MS to understand the capability of GC/APCI-MS relative to these two firmly established techniques. Copyright © 2010 John Wiley & Sons, Ltd.
Rapid Communications in Mass Spectrometry published new progress about Drugs. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics