19
This combination of qualitative and quantitative capability of the Xevo QTof MS makes it an ideal tool for early drug discovery metabolism studies.
CONCLUSIONS
The quantification of candidate pharmaceuticals in biological fluids plays a key role in drug discovery DMPK. The drive to maximise productivity and instrument usage in discovery means modern LC/MS systems must be able to perform bioanalysis quantification and metabolite identification.
• The use of narrow mass windows provides high selectivity.
• The Xevo QTof MS provides sufficient sensitivity for use in drug discovery quantification applications.
• The data collection rate is sufficiently fast to accurately quantify the narrow peaks produced by UPLC’s sub-2 µm particle LC.
Figure 5. TargetLynx exact mass window selection for quantification.
• The ability of the Xevo QTof MS to acquire accurate mass data allows both quantitative and qualitative data to be acquired simultaneously.
REFERENCES
[1] Castro-Peres J, Yu K, Shockcor J, Shion H, Marsden-Edwards E. Fast and Sensitive in vitro Metabolism Study of Rate and Routes of Clearance for Ritonavir using UPLC coupled with the Xevo QTof MS System. Waters Application Note. 2009; 720003025en.
[2] Bateman KP, Castro-Perez J, Wrona M, Shockcor JP, Yu K, Oballa R, Nicoll-Griffith DA. MSE with Mass Defect Filtering for In Vitro and In Vivo Metabolite Identification. Rapid Commun Mass Spectrom. 2007; 21(9): 1485-96.
[3] Wrona M, Mauriala T, Bateman KP, Mortishire-Smith RJ, O’Connor D. ‘All-in-one’ Analysis for Metabolite Identification using Liquid Chromatography/hybrid Quadrupole Time-of-flight Mass Spectrometry with Collision Energy Switching. Rapid Commun Mass Spectrom. 2005; 19(18): 2597-602.
Waters, UltraPerformance LC, ACQUITY UPLC, and UPLC are registered trademarks of Waters Corporation. The Science of What’s Possible, TargetLynx, LockSpray, and Xevo are trademarks of Waters Corporation. All other trademarks are the property of their respective owners. ©
2009 Waters Corporation. Produced in the U.S.A.
World’s Fastest and Most Sensitive LCMS System
Shimadzu has introduced a new compact LCMS-2020 single quadrupole mass spectrometer, which features the world's fastest scanning capabilities. Utilising patent pending ultrafast (UF) technology, the LCMS-2020 has faster measurement speed and significantly higher sensitivity than any other single quadrupole analyser. This provides more accurate detection of trace impurities in pharmaceuticals, environmental pollutants and other contaminants.
The new UFscanning technology achieves mass spectrum measurement speeds of 15,000 u/sec without sacrificing sensitivity or resolution, thus obtaining the best chromatography for the fastest LC conditions. The novel UFswitching technology achieves industry-leading 15 ms polarity switching, enabling accurate data from even the fastest chromatographic peaks without any loss of peak height.
Shimadzu redesigned the ion transfer section to provide greater sensitivity than other quadrupole analysers for commonly measured substances. Users can now inject less and keep the analyser cleaner for longer. It also has improved high mass operation with sensitivity increased for masses above 1,000. In addition to better performance, the LCMS-2020 allows easier maintenance, permitting users to replace the ionisation unit and inlet capillary to the MS from the LC, without breaking the vacuum.
LCMS-2020 control and data processing are handled by an updated version of LCMSsolution software. The new software easily displays multiple sets of LC or MS data, allowing overlay and analysis of multiple data results for easy searching and comparison. The new software controls the LCMS-2020 and is fully integrated with Shimadzu's prominence series of ultrafast and nano HPLCs.
Circle no. 359
Award for Outstanding Research Publication
Waters Corporation announced that the American Society for Mass Spectrometry (ASMS) presented Professor Alison Ashcroft of the University of Leeds with the first Ron Hites Award for Outstanding Research Publication in the Journal of the American Society of Mass Spectrometry (JASMS). Professor Ashcroft’s paper titled, Monitoring Copopulated Conformational States During Protein Folding Events Using Electrospray Ionisation-Ion Mobility Spectrometry-Mass Spectrometry, appeared in the December 2007 issue of JASMS and was co-authored by Waters scientists Kevin Giles and Robert Bateman along with University of Leeds researchers David Smith and Professor Sheena Radford. Professor Ashcroft’s team acquired the research data for the publication on a Waters® (HDMS™) System.
SYNAPT High Definition MS™
ASMS judged the publication on the basis of its ‘innovative aspects, technical quality, likely stimulation of future research, likely impact on future applications, and the quality of the presentation’. Professor Ashcroft received the Award and $2,000 cash at the 57th ASMS Conference on Mass Spectrometry and Allied Topics.
The Award is named in honour of Professor Ronald A. Hites of Indiana University who spearheaded the creation of JASMS in 1988 while President of ASMS. JASMS is devoted to the publication of research papers covering all aspects of mass spectrometry from all fields of science including chemistry, physics, geology, environmental, biological, health and life sciences.
Shortly after purchasing her SYNAPT™ HDMS System in 2007, Professor Ashcroft had this to say about it: “It’s adding a new dimension to our research. We can now quantify the amount of protein that is in its native state and the amount that is unfolded and partially folded. We can also monitor which particular conformers are consumed during the assembly process. This is providing important new insights and detail into how biomolecules work at the molecular level.”
Circle no. 360
High-Resolution VOC Quantification in the Single-Digit pptv-Range
Ionicon presents the new PTR-TOFMS series, taking online mass spectrometry for trace VOC analysis another step ahead. The new PTR-TOFMS series offers to the scientific market two very attractive variants: the IONICON PTR-TOF 8000 and the IONICON PTR-TOF 2000.
Both instruments combine the legendary features of Proton Transfer Reaction (PTR) technology that is being ultra-sensitive to VOCs (single-digit pptv-range), with the speed and resolution of time-of-flight mass spectrometry.
The flagship of this series is the IONICON PTR-TOF 8000 providing an incredible resolution of up to 8000 m/∆m thus resolving isobaric compounds, and a very low detection limit of < 10 pptv.
The IONICON PTR-TOF 2000 focuses on sensitivity and speed reaching a limit of detection below 5 pptv and very high ion count rates but nevertheless features a mass resolution of up to 2000 m/∆m.
The PTR-TOFMS series as well as the classic PTR-QMS Series (based on quadrupole MS) can be equipped with Switchable Reagent Ions (PTR+SRI-MS) where instead
of the single precursor ion (H3O+) used so far in PTR-MS systems also NO+ and O2+ can be used to chemically ionise trace constituents in gas samples. The benefits are extraordinary as not only isomeric VOC compounds can be separated and instantaneously quantified but also more substances can now be detected.
Circle no. 361
LAB ASIA - NOVEMBER/DECEMBER 2009 - MASS SPECTROSCOPY FOCUS
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