The Advion deconvolution algorithm employs a combination of predictive charge envelope generation, overlap calculation with actual MS data acquired utilizing a maximum entropy goodness of fit approach followed by artifact removal through determination of peak significance. This novel approach allows for a rapid deconvolution over a wide mass range in seconds. It also allows a neutral mass output where the absolute signal intensity is directly correlated to the MS raw data signal intensity and analyte concentration in solution.
Center for Free-Electron Laser Science (CFEL), Hamburg, Germany
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The lab’s research focus is time-resolved crystallography of proteins. Many of the catalytic processes involved occur too rapidly for us to study effectively. Therefore, we use our synthetic chemistry lab to prepare photosensitive compounds called photocages which can be incorporated into the proteins to inhibit or hinder reactions. Because they are photosensitive, they enable us to control reaction speed, making the study of these catalytic processes possible.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGE?
A: Previously I was working in pure organic chemistry and other related disciplines such as supramolecular chemistry and organocatalysis. So it was quite challenging to move into the crystallography field in a campus like Deutsches Elektronen-Synchrotron (DESY) where there is almost no organic chemistry research undertaken.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: On the DESY campus there’s no chemistry department and, as a consequence, no instrumentation for the qualitative nor quantitative determination of organic compounds. With the Advion compact mass spectrometer we are now able to follow the process of most of our reactions which greatly facilitates our research.
Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION CMS?
A: Organic chemists who are working continuously in the lab for the quick and easy determination of small molecules.
Albert-Ludwigs-University, Freiburg, Germany
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: We investigate ionic systems to the fullest extent, both experimentally and theoretically. In doing so, we want to understand and exploit the fundamental principles that determine the behaviour of such systems.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: For sample analysis we use NMR, vibrational Spectroscopy and X-Ray Diffraction along with electrochemical measurements in our laboratory. However, for mass spectra the samples had to be given to the MS service of the chemistry department. This led to noticeable waiting times, so no reaction monitoring was possible. Also, some of the compounds usually lead to large memory effects and are therefore rather ‘unpopular’ at the MS service. Furthermore, a large part of the compounds we synthesize are air sensitive and could not be measured at all.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: With the expression CMS in our laboratory we can now use mass spectrometry as a standard analysis tool for reaction monitoring. PhD Students can measure their own samples directly after synthesis. They can even change the ion source on their own according to the nature of their samples. Samples with large memory effect are no longer problematic, as the inlet capillary can easily be cleaned. A major advantage is that we can now analyse highly air-sensitive compounds without difficulty and outside a glove box.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION CMS?
A: We would recommend the expression CMS to anyone who wants to implement MS as a fast and easy to operate standard method within their own lab.
University of Ljubljana, Slovenia
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: In our Department of Medicinal Chemistry we have focus on the synthesis of novel molecules with biological activity. We synthesize molecules of natural origin, peptides and heterocyclic compounds. As integral part of the department’s work we also do drug analysis.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: The modern Faculty of Pharmacy provides state-of-the art analytical techniques. We have a 400 MHz NMR in our department and access to 600 MHz and 800 MHz NMRs in the Infrastructural Centre. Furthermore, we routinely use FT IR, DAD HPLC. At one point biggest bottleneck was MS, as we had access to HRMS, but we did not have MS in our department for routinely use in synthesis and analytical procedures.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: We thought that a robust, easy to use MS would be most useful in our laboratory to make our work faster and most efficient. Versatile use, simple use of various ion sources, and direct application of samples from TLC or use of dissolved samples, were possibilities which persuaded us.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?
A: We would recommend the expression® CMS to every medicinal chemistry department, who would use MS in a daily routine from undergraduate students to post-docs. Doing MS analysis is now a common and integral part of our work as well as doing TLC-MS-coupling with the Plate Express™. It is an excellent way for entry level to mass spectrometry, because of simple use, robustness and good results of analysis.
Polish Academy of Sciences, Warsaw, PL
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The group has extensive experience in host-guest chemistry. We are seeking novel supramolecular platforms/systems, in particular macrocyclic systems, which might find applications in the recognition of ionic and neutral guest molecules. The research consists of two main parts: synthesis of novel receptors and analysis of their supramolecular assemblies. The formation of supermolecules is monitored and analyzed by NMR, UV-vis and fluorescence spectrometry. X-ray analysis is used to determine structure of receptors and their complexes. We also work with dynamic combinatorial libraries (DCL) and occasionally synthesize isotopically labeled compounds.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: In the synthesis of molecules of complex structures we need fast and reliable feedback about the success of each synthetic step. For example, macrocyclisation reactions sometimes give very complex mixtures. In order to follow the reaction course and facilitate purification, we need a fast tool for the unambiguous confirmation in which TLC spot is the desired product. Also, distinguishing between [1+1] and [2+2] macrocycles is not possible by simple NMR measurements and for new dynamic combinatorial libraries any HPLC characterization method required validation by an LC-MS in the service laboratory which takes time.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: We needed a versatile tool to speed up our synthesis processes and facilitate purification protocols. The expression® CMS is mainly applied with Plate Express™ for fast compound identification from TLC plates. Now the choice of synthetic protocol can be evaluated within minutes. The product unambiguously spotted on the TLC plate is much easier to isolate. In addition, whenever needed we connect CMS to our HPLC system to analyze complex mixtures and to validate the analytical protocols. Isotope composition of labeled compounds is also easy to follow using this system.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?
A: We would recommend it to all groups dealing with synthesis of small molecules. The instant feedback about the reaction progress and aid in isolation of the product saves a lot of time. With the expression® CMS, the group is more independent, using the system as a stand-alone unit, coupled to the TLC plate reader or LC-system when needed.
SYNKOLA Ltd., Bratislava, Slovakia
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: Our company, SYNKOLA Ltd., is a chemical contract research company offering custom synthesis and research services for more than 24 years. Our clients are mostly global leaders in the industry. The focus of our laboratory research is the synthesis of organic substances, especially in the area of biologically active substances and chemical specialties. In term of structure, our targets are usually complicated molecules containing hetero- and multiple halogen atoms.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: We use the expression CMS for fast monitoring of reaction mixtures, to identify fractions and also to confirm structures in combination with other analysis methods. The analysis with CMS is very fast and any chemist is able to perform his own routine analysis. The ASAP®/APCI method is especially fast and simple (>2000 samples a year).
Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION CMS?
A: We recommend the purchase of the expression CMS to all organic and synthetic chemists groups for its ease-of-use. With the ASAP option, chemists are enabled to analyze any sample in 2-3 minutes without the need for external services. A further advantage is that both positive/negative mode analysis is done at the same time and in a single run.
University of Hull, Chemistry Department
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: My group are actively researching the application of mass spectrometry to a range of problems in both chemical and biomedical science. In particular we are involved in the application of mass spectrometry based proteomics for label free quantitation of proteins from human tissue samples and also in the identification of trace analytes from environmental samples. We are also investigating the synthesis of novel co-polymeric monolithic phases for sample extraction and separation.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: The Chemistry Department at Hull have long recognised the need for practical training on a wide range of chemical instrumentation. In particular we recognise the requirement from many companies in the pharmaceutical and fine chemical sectors for practical training in GC/MS and LC/MS. The Advion expressionL compact mass spectromater (CMS) was purchased to provide such training at an undergraduate level and has been incorporated into the range of instrumental analysis practicals for final year students. The expressionL CMS fits tidily on the bench-top next to the HPLC system and gives students the chance experience at first hand the use of LCMS as an analytical technique. The ease of use and robust nature of the system means that the expressionL CMS lends itself to the undergraduate laboratory where users will not be experts in mass spectrometry at this point in their careers.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: We use the expressionL CMS to give undergraduate students practical experience of using LC/MS to prepare and analyse a ‘mock’ urine sample. The sample has to be prepared by adding the internal standard and extracting the analytes using Solid Phase Extraction (SPE) to obtain a sample suitable for LC/MS analysis. The aim is to identify and quantify the compounds found in the sample by reference to the internal standard added. The HPLC separation is a rapid 10 min gradient elution and the ability to incorporate the data from the UV detector into the MS data provides an additional benefit. Purchasing the expression L CMS has allowed us to provide practical training in LC/MS for our undergraduate students at a time when prospective employers are actively seeking such skills.
Compact Mass Spectrometry (CMS) for Reaction Monitoring and Quality Control of Modern Solid Phase Peptide Synthesis (SPPS)
A recent development in mass spectrometry is the design of smaller sized MS systems with full analytical capability (compact mass spectrometry, CMS). CMS systems with fragmentation analysis are very cost eff ective analysis solutions and ideally suited for reaction and quality control in SPPS including detailed product characterization3. Here, we evaluate the utility of a system comprised of an automated peptide synthesizer, Prelude X
(Protein Technologies Inc.) and the LC/CMS analysis system expression-L (Advion Inc.) based on two peptides selected for their known synthetic challenge.
LC/MS Screening For EDTA In Fresh Blood Swabs Using the Advion Interchim Scientific expression® CMS System
This application note suggests that a simple LC/MS screen of a relatively fresh sample of human whole blood collected from a lavender capped potassium EDTA anticoagulant blood sample applied to a cotton swab can be analyzed by full-scan positive ion or negative ion LC/MS using a compact single quadrupole mass spectrometer (expression® CMS). A presumptive positive determination from such a test would benefit from confirmation by LC/MS/MS or other definitive confirmative analytical technique.
Qualitative Analysis of Commonly Abused Drugs by LC/MS on the expression® CMS
D. Tranchemontagne, N. Sousou, S. J. Prosser, J.D. Henion – Advion, Inc. & S. Orlowicz, S. Sadjadi, L. Snow – PhenoLogix
The Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) coupled with Liquid Chromatography (LC) was used as a qualitative screening tool. This application note will demonstrate the screening of various drugs, including amphetamines, benzodiazepines, antidepressants, opiates and opioid drugs as well as their common metabolites. It will show that the expression® CMS can easily be implemented in a doctor’s office to provide fast and easy drug screening.