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If you couldn’t join us at the 63rd ASMS Conference on Mass Spectrometry and Allied Topics, you can find out more about Waters latest technologies and innovations right here, enabling superior performance in your lab, allowing you to succeed in the science of what’s possible.

Photos from Waters ASMS 2015

Press Releases:

Waters Brings Novel Separations and Ionization Technologies to High Resolution Mass Spectrometry at ASMS

Waters New HILIC-based Glycoprotein Column Enhances Glycan Analysis

Waters Oasis PRiME HLB Sample Extraction Family Sets New Standard for LC and LC-MS Sample Preparation

Waters new REIMS Research System with iKnife Technology Reduces Sampling Time to Seconds

Waters New Release of UNIFI Scientific Information System Software Offers New MS Instrument Support and New Data Processing Capability

Waters New Vion IMS Q-Tof Mass Spectrometer Brings the Benefits of Ion Mobility and Greater Separation Power to Routine Analyses

Thank you for attending the Waters MS Users’ Meeting.

The presentations have been attached below next to the session name.

GENERAL SESSION

Parallel Sessions:

I: TRANSLATIONAL MEDICINE
II: CLINICAL CHEMISTRY & FORENSIC TOXICOLOGY
III: BIOPHARMACEUTICAL
IV: PHARMACEUTICAL
V: FOOD & ENVIRONMENTAL ANALYSIS
VI: CHEMICAL MATERIALS

General Session

What’s New from Waters

Gordon Kearney
Senior Manager, Product Management, Mass Spectrometry
Waters Corporation, UK
and
Mike Morris
Senior Director, Mass Spectrometry Research

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Key Note Presentation 1:
Ambient MS in clinical diagnostics – from microbiology to MS-guided surgery

Professor Zoltan Takats
Professor of Analytical Chemistry
Faculty of Medicine, Department of Surgery & Cancer
Imperial College London

Presentation not available for publication.

Dr. Zoltan Takats, Reader in Medical Mass Spectrometry, Deputy Head of Section, Section of Computational and Systems Medicine, Department of Surgery and Cancer, Faculty of Medicine, Imperial College London

dr zoltan takatsDr. Takats has obtained his PhD from Eötvös Loránd University, Budapest, Hungary. He has worked as a post-doctoral research associate at Purdue University, Indiana, USA. After returning to Hungary, he served as Director of Cell Screen Research Centre and also as Head of Newborn Screening and Metabolic Diagnostic Laboratory at Semmelweis University, Budapest. Dr. Takats was awarded the Starting Grant by the European Research Council in 2008 and he subsequently become a Junior Research Group Leader at Justus Liebig University, Gießen, Germany. He moved to the United Kingdom in 2012 and currently works as a Reader at Imperial College London. Dr. Takats has pursued pioneering research in mass spectrometry and he is one of the founders of the field of ‘Ambient Mass Spectrometry’. He is the primary inventor of six mass spectrometric ionization techniques and author of 78 peer reviewed publications. He was the recipient of the prestigious Mattauch-Herzog Award of the German Mass Spectrometry Society and the Hungarian Star Award for Outstanding Innovators. He is the founder of Prosolia Inc., Medimass Ltd. and Massprom Ltd., all companies pursuing analytical and medical device development.

Key Note Presentation 2:
Addressing complex and critical food integrity issues using the latest analytical technologies

Professor Chris Elliott
Professor of Food Safety and Director of the Institute for Global Food Security
Queen’s University Belfast, Northern Ireland

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The ability to deliver safe, nutritious and authentic food to the world’s growing population is one of the most important and challenging tasks. To cope with this the supply systems of many commodities have become global in nature and are often very complex with multiple players involved. The potential for contamination of foods due to this complexity has increased considerably. When issues arise the ability to identify the cause of the contamination and origin of the food material implicated is often difficult and sometimes impossible.

Of growing concern is the deliberate contamination of foods driven by economic gain. Food fraud has been in existence for many hundreds of years due as global food systems become more complex the opportunities for fraud have greatly increased and the impact these have on consumer health and trust. In 2011 a large study showed that over one third of all fish sold in the US have some sort of fraud associated with it. In Europe in 2013 the red meat supply system was shown to be infiltrated by criminal activity and thus the term food crime emerged.

Food testing is one of the key roles of deterring and detecting food fraud. Due to the multiple types of fraud that can be perpetrated the challenges to be able to identify these are enormous and in some cases still impossible. A review of the types of fraud, the challenges to their detection and the potential for a paradigm shift in detection using rapid evaporative ionization mass spectrometry was given.

Chris is currently Professor of Food Safety and Director of the Institute for Global Food Security at Queen’s University Belfast. He has published around 300 peer review articles, many of them relating to the detection and control of agriculture, food and environmental related contaminants. His main research interests are in the development of innovative techniques to provide early warning of toxin threats across the agri- food chains. Protecting the integrity of the food supply chain from fraud is also a key research topic and Chris led the independent review of Britain’s food system following the 2013 horsemeat scandal.

Over the years Chris has developed a high level network of collaborators across Europe, the United States and Asia. He co-ordinates and participates in multiple European framework research projects. He is a founding member of the International School for Advanced Residue Analysis in Food based in France. He is also a visiting Professor at the China Agriculture University in Beijing, a recipient of a Winston Churchill Fellowship and is an elected Fellow of the Royal Society of Chemistry, Society of Biology and the Institute of Food Science and Technology.

PARALLEL SESSION I: TRANSLATIONAL MEDICINE

“Bench-to-bedside” is a phrase that is used in modern translational medicine. The aims of translational medicine is to integrate the sciences of proteomics, genomics, metabolic profiling, transcriptomics and lipidomics for medical studies. The question that researchers face is how can we turn our scientific research findings into real clinical benefits to discover new treatments, improve diagnosis, lower costs and improve patient experiences. Hand in hand with this “bottom-up” approach is the need to integrate clinical findings and observations from epidemiological studies with current molecular “Omics” research. In this workshop we heard from leaders in the field of proteomics, lipidomics and metabolic profiling for biomedical research. The presentations in this session covered the topics of lipid analysis in Alzheimer’s research by micro scale LC/MS; MS based molecular imaging for tumor analysis; proteomics platforms for cancer research and an integrated omics platform for medical research support.

Moving towards molecular pathology with desorption electrospray ionization imaging – where we are now and where we’re going

Emrys Jones
Senior Scientist, Imaging Mass Spectrometry, Health Science Business
Waters Corporation, UK

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emrysjonesEmrys obtained a 1st class Masters degree in Chemistry from the University of Manchester Institute of Science and Technology (UMIST) and a Ph.D. at the University of Manchester where he developed cluster ion beam approaches for ToF-SIMS imaging of biological samples such as cells and tissue sections.
Postdoctoral positions at both the Wolfson Molecular Imaging Centre (University of Manchester) and the Leiden University Medical Centre (LUMC) in the Netherlands, allowed Emrys to develop a deep understanding of MALDI-MS imaging for a range of applications relating to cancer and neurological conditions. In both positions Emrys focused on enhanced methods of data processing and analysis, multiplexing analyses by combining imaging mass spectrometry with techniques such as positron emission tomography, IHC, ISH and streamlining the connection between analytical chemists and their collaborators in pathology.
Before joining Waters in 2014, Emrys most recently spent two years at Imperial College London in the group of Prof. Zoltan Takats, developing the DESI and REIMS technologies for numerous applications relating to intraoprative mass spectrometry and rapid diagnostics.

Harmonization of ‘Omic Analyses for Translational Medicine Studies – Needs and Realities

M. Arthur Moseley, PhD
Associate Research Professor, Director, Duke Proteomics Core Facility
Duke University, USA

Presentation not available for publication.

The role of mass spectrometry for discovering new therapeutics and diagnostic markers

Joseph A. Loo, Ph.D.
Professor, Department of Biological Chemistry, David Geffen School of Medicine
Professor, Department of Chemistry and Biochemistry
UCLA Molecular Biology Institute, University of California-Los Angeles, USA

Presentation not available for publication.

Metabolomics and lipidomics approaches for biomedical research and biomarker discovery

Giuseppe Astarita
Principal Scientist, Metabolic Phenotyping, Health Sciences
Waters Corporation, USA

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PARALLEL SESSION II: CLINICAL CHEMISTRY & FORENSIC TOXICOLOGY

Driving analytical performance in clinical chemistry & forensic toxicology

LC-MS continues to make a valuable contributions to the fields of clinical chemistry and forensic toxicology. As new applications are considered, increasing performance demands are placed upon software, separations and automation tools that further extend the scope of mass spectrometry in laboratories. With this in mind, we presented a series of talks describing the efficacy of a broad range of Waters technologies that offer enhanced sensitivity, improved workflows and new perspectives on separations to solve challenges in clinical and forensic laboratories.

The convergence of clinical research opportunity and supercritical fluid technology

Matthew Crawford, BSc
Researcher
LabCorp, USA

Presentation not available for publication.

Targeted, semi-targeted and non-targeted screening approaches using UPLC-QTof-MSE with UNIFI for forensic toxicology analysis

Petur Weihe Dalsgaard, M. Pharm., Ph.D.
Department of Forensic Medicine, University of Copenhagen, Denmark

Presentation not available for publication.

A new level of sensitivity and standardization: the promise of integrated micro fluidic devices coupled with mass spectrometry

Paul Rainville
Principal Scientist, Health Sciences Business
Waters Corporation, USA

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Successful implementation of online SPE LC-MS/MS in the clinical research laboratory

Martijn van Faassen, BSc
PhD Student
Department of Laboratory Medicine, University Medical Center, Groningen, The Netherlands

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PARALLEL SESSION III: BIOPHARMACEUTICAL

This biopharmaceutical track at the ASMS 2015 Waters User’s meeting featured technical presentations describing innovations in biotherapeutic characterization techniques that support early molecule development to the monitoring assays that routinely support late development, manufacturing and release. In addition to a Waters presentation detailing highlights of new technologies, tools, and analytical workflows for biotherapeutic analysis, we had external speakers discussing the use of mass spectrometry for Host Cell Protein (HCP) analysis, Antibody Drug Conjugate (ADC) characterization, and the combined use of Optical and Mass Detection technology for routine monitoring of biopharmaceutical attributes and as a platform for multi-attribute release assays.

Native and Ion Mobility-MS characterization of ADCs

Dr. Alain Van Dorsselaer
Director of BioOrganic Mass Spectrometry Laboratory, Hubert Curien Pluridisciplinary Institute
University of Strasbourg, France

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Implementation of Waters RapiFluor-MS Kit and QDa Detector for N-Glycan Analysis in GMP Quality Control Labs

Jeffrey Thompson, PhD
Analytical Specialist I
Regeneron Pharmaceuticals, USA

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Mass Spectrometric Approaches to Biologic Host Cell Protein Identification- A State of the Technology and Perspectives

Matthew Schenauer
Research Scientist II, Biologics Development
Gilead Sciences, USA

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Biopharmaceuticals: from the top down, bottom up, outside in, and falling to pieces

Scott J. Berger
Senior Manager, Biopharmaceutical Markets
Waters Corporation, USA

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PARALLEL SESSION IV: PHARMACEUTICAL

Today, it’s more important than ever for Pharmaceutical organizations to remain at the forefront of analytical technology adoption. In this session we showcased the pioneering work of scientists around the world working together to use new technology developments in inventive and surprising ways that impact the pharmaceutical lab and have wider implications to the analytical community at large.

New LC/MS techniques for improved sensitivity and selectivity in small molecule bioanalysis

Filip Cuyckens
Scientific Director and Fellow
Janssen R&D, Belguim

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Microfluidics for Macromolecules: Leveraging the Ion Key-TQS for Quantitation of Therapeutic Peptides

Lucinda H. Cohen
Director, NJ Discovery Bioanalytics Group
Merck Research Laboratories, USA

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Ion Mobility-enabled Workflows for DMPK

Russell Mortishire-Smith – Senior Consultant
Scientist, Pharmaceutical Business,
Waters Corporation

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Designing and building the QDa – what it takes to bring a new mass spectrometer to your lab bench

Daniel Kenny
Director, MS Development
Waters Corporation, UK

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PARALLEL SESSION V: FOOD & ENVIRONMENTAL ANALYSIS

Advanced MS techniques to ensure quality of life – our food, our environments
The identification of components of interest from food or environmental samples is constantly faced with complex and changeable matrices. In many cases, the compounds of interest are present at much lower levels than matrix components. Whether the task is to ensure ingredient safety and consistency, to screen products for known contaminants or residues, to identify new potential contaminants or to search for markers of authenticity or food fraud, the technologies that improve confidence in the analytical result are key to the success of today’s laboratories.
In this session, four keynote speakers addressed our audience on how Waters’ novel technologies are helping to ensure the quality of the food we eat and the environment we live in. Novel technologies such as APGC, ion mobility combined with high resolution MS, IonKey and the informatics platforms that enable the collection and interpretation of multi-faceted datasets from such advanced analytical instrumentation.

A train full of ion mobility benefits for food analysis, arriving at the next platform

Dr Severine Goscinny
Scientific Researcher
Department of Food, Medicines and Consumer Safety,
Scientific Institute of Public Health, Belgium

Presentation not available for publication.

Current trends indicate that more than 500 compounds are routinely used under strict regulation on a global basis. With increasing global trade, there is a requirement for multi-analyte screening strategies capable of efficiently detecting residue violations to protect consumer safety. Benefits of full spectra acquisition and the specificity of accurate mass measurement is well characterised and is used in combination with, time tolerances, isotope fits, fragment ions/ratios and response thresholds to reduce false positive/negative identifications in screening assays. Nonetheless, it is a challenge to identify targeted compounds present in the sample with a large number of co-extracted matrix components, in a time efficient manner.
Confidence in the use of CCS as an identification parameter, will be shown from the initial international feasibility studies. Day to day, month to month, injection to injection and 25 matrix to matrix comparisons will be presented, where CCS RSD’s of < 1% have been achieved. The application of ion mobility to remove false positive identifications and importantly false negative identifications, was shown. In addition CCS can provide further confidence where only monoisotopic information is available at low level detection. Unique pesticide protomer identification has been discovered. Also the power of CCS selectivity is illustrated when comparing different chromatographic profiles, CCS can provide a route to flexibility in chromatographic methodology employe. The extensive study using ion mobility has been performed using routine ion mobility screening platforms.

Using ‘small molecule’ CCS from ion mobility mass spectrometry for ID and prediction

Dr Cris Lapthorn
Researcher
University of Greenwich, UK

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Enhancements in both hardware and software technology have resulted in an increase in the use of ion mobility as a routine analytical tool. Workflows have been developed where collision cross section (CCS) has been used as an additional identification parameter. The current approach to develop a CCS screening library to be used in non targeted screening assays requires collision cross section measurements to be performed using high purity standards and the determined CCS value entered into the library.
Accurate measurement and better prediction of collision cross sections (CCS) through molecular modelling opens up powerful new opportunities including providing precursor and product ion CCS databases that can confirm structures and substructures, assigning positional isomers without requiring reference materials for comparison and optimising ion mobility separations in silico. This talk highlights unique opportunities in food and environmental applications including rapidly generating theoretical CCS and utilising them for identification and confirmation.
Cris Lapthorn previously held positions as Head of Open-Access Mass Spectrometry at Pfizer and as a mass spectrometry specialist at Novartis, Horsham. He is now Head of Mass Spectrometry Services at the University of Greenwich.
He a recipient of the 2014 British Mass Spectrometry Society (BMSS) Bordoli Prize and co-authored an ion mobility mass spectrometry review that is one of the top 10 most accessed publications in the highest impact factor mass spectrometry journal, Mass Spectrometry Reviews. He has been invited to tutor on courses including the BMSS Ion Mobility Special Interest Group meeting.
His research predominantly utilises ion mobility mass spectrometry, often in combination with molecular modelling. Ion mobility can separate ions based on their drift-time through a buffer gas, so can give information about shape, size and charge distribution and provide separation in milliseconds in addition to mass spectrometry data.

Accurate mass screening for known and unknown nitrogenous economic adulterants with workflows in UNIFI

Dr Nicholas Cellar
Research Scientist, Analytical Research and Services
Abbott Nutrition, USA

Presentation not available for publication.

Economic adulteration of milk involves adulterating milk with nitrogen rich compounds to bias the widely used Kjeldahl protein assay. This issue garnered global attention during the melamine scandal in China which resulted in the sickening and deaths of infants. Today a heightened awareness of the melamine issue, availability of reliable analytical test methods, and recently introduced regulations, collectively decrease the risk of repeat incidence of the melamine crisis. However, the motivation for economic adulteration remains. Therefore it is conceivable for the emergence of alternative nitrogenous compounds. Hence, continuous development of new analytical screening methodologies capable of detecting the presence of externally introduced highly nitrogenous compounds is needed to ensure food safety of milk based ingredients and finished products.

Triple quad based LC-MS platforms are widely used for the analysis of melamine. The use of triple quad, though sensitive and specific, requires a priori knowledge of target analytes. However the use of accurate mass based QTOF platform allows for the simultaneous analysis of targeted and non targeted compounds. A high resolution accurate mass screening method was developed using a QTOF platform and HILIC separation. The method employs a simple dilution based sample preparation and stable isotope labeled internal standards to enable the analysis of economic adulterants present in milk derived ingredients. A number of nitrogenous economic adulterants were targeted for rapid analysis. Further, a number of additional nitrogenous compounds were screened to evaluate method’s applicability beyond the target analytes.

Dr. Cellar is a Research Scientist at Abbott Nutrition and has spent six years in industry as an analytical chemist. He specializes in separations and mass spectrometry, and has developed and validated a number of methods for food safety applications as well as vitamin determination. In his current role, Dr. Cellar manages The Food Safety Laboratory and Raw Materials Laboratory within R&D in Abbott Nutrition.
Prior to Abbott Nutrition, Dr. Cellar worked in the Analytical Sciences department at the Dow Chemical Company. At Dow, he supported R&D efforts by developing methods for a diverse range of chemicals in a variety of matrixes.
Dr. Cellar received his doctorate in Analytical Chemistry from the University of Michigan and his Bachelors of Science from Miami University. His graduate research involved development of microfluidic devices for the sampling, separation, and detection of amino acid neurotransmitters. He has a number of publications and has presented at professional conferences around the world.

Advanced technologies for analysis of poly-halogenated dioxins and furans in controlled burn samples

Dr Frank Dorman
Associate Professor, Biochemistry and Molecular Biology
Eberly College of Science, Penn State University, USA

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Dr Frank Dorman graduated with a PhD in Analytical Chemistry from the University of Vermont in 1993 when he joined what was then called Inchcape Testing Services which was subsequently acquired and renamed to become part of the InterTek network. In 1996 he joined Restek and rose quickly to the position of Director of Technical Development, a position he held for 10 years, before taking his current position at The Pennsylvania State University. He is currently an Associate Professor at in the Department of Biochemistry and Molecular Biology and a member of the Forensics Science Program at the Eberly College of Science. In addition to undergraduate and graduate student instruction, he continues to pursue research interests in gas and liquid chromatography and their application to trace analysis in complex matrices.

PARALLEL SESSION VI: CHEMICAL MATERIALS

This session focused on the application of a number of novel technologies that enable scientists to better characterize complex chemical materials such as petroleum, next generation biofuels and polymers. In addition to sample complexity the chemical diversity of samples presents additional challenges for mass spectrometry based characterization. The speakers presented developments in source and inlet technologies in combination with mass spectrometry to address these challenges.

UPC2-MS – another new kid on the block or the missing link?

Dr. G. John Langley
Associate Professor of Mass Spectrometry
University of Southampton, UK

Presentation not available for publication.

The false dawns and promises of SFC have come and gone, now at last robust instrumentation has been delivered. UPC2-MS is a platform that comfortably sits alongside LC-MS and GC-MS affording extended capability and complementarity for the analyst. At Southampton Chemistry UPC2-MS delivers unique solutions across a broad range of application areas, e.g. synthetic organics, petrochemistry, lipids, nucleotides and many other areas .
This technology has been incorporated in to the open access facility in Chemistry and provides new approaches as well as complementing existing systems. The breadth of chemistries, column phases and different ionization approaches will be used as examples of the positive impact that UPC2-MS has and is making.

Advancing atmospheric pressure ionization through APGC, ASAP, and matrix-assisted ionization

Professor Charles N. McEwen
Houghton Professor of Chemistry and Biochemistry,
University of the Sciences, USA

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Horning’s group in the 1970’s developed atmospheric pressure ionization (API) mass spectrometry (MS), but it was electrospray ionization that drove the commercialization of API-MS as a liquid introduction technology. The utility of gaseous introduction of volatile compounds into an API source and new developments in GC-API/MS and ASAP-MS will be discussed along with the newly discovered matrix-assisted ionization technology that allows ionization of low and high mass compounds on API instruments without use of a laser, high voltage, or even heat.

APCI- and APPI-GC/MS-MS for Characterization of the Macondo Wellhead Crude Oil and the Oil Spill

Dr. Vladislav V. Lobodin
Research Faculty, National High Magnetic Field Laboratory
Future Fuels Institute, Florida State University, USA

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Harnessing the power of CCS for routine screening applications on the UNIFI informatics platform

Professor Cristina Nerin
Professor of Analytical Chemistry
University of Zaragoza, Spain

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Monday, June 1

7:00am – 8:00am

What’s New From Waters

Presenters: Emma Marsden-Edwards, MS Product Manager, and Nick Tomczyk, Principal Analytical Scientist, Waters Corporation

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7:00am – 8:00am

Quoi de neuf avec Waters – This was a special presentation in French for French speaking ASMS attendees

7:00am – 7:10am – Welcome : David Lascoux
7:10 – 7:30am – Les apports de la mobilité ionique couplée à la spectrométrie de masse : Alain Van Dorsselaer
7:30am – 7:45am – Nouvelle plate forme d’imagerie Waters : Emmanuelle Claude
7:45am – 8:00am – Encore plus de mobilité ionique : David Lascoux

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7:00am – 8:00am

Transforming Sample Preparation

Presenter: Xin Zhang, Senior Research Chemist, Waters Corporation

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Much of the focus in liquid chromatography (LC) during the last decade has been on improving the speed and resolution of the separation. An example of that was in 2004 when the landscape of LC changed with the introduction of the ACQUITY UPLC system, the first holistically-designed chromatographic system to take full advantage of sub-2-µm particle columns. One consequence of improving and/or shortening chromatographic analysis times is that the laboratory throughput bottleneck has now moved from analysis time to sample preparation time. As an industry leader in sample preparation products and methodologies, Waters understands these challenges and has been focusing on simplifying and streamlining sample preparation. To address this need we introduce a new, novel sorbent for small molecule sample preparation that produces cleaner samples in less time and with fewer steps.

In small-molecule analyses, complex sample matrices, price pressures, and stringent analytical method requirements place additional demands on separation scientists. Using “good enough” sample preparation approaches that fail to adequately prepare samples can lead to shortened column lifetimes and poor method sensitivity and precision due to ion suppression or enhancement. To overcome these issues, Waters has developed a new, easy-to-use, streamlined approach that is based on our water-wettable, reversed-phase sorbent Oasis. This new and exciting product produces high recoveries, improved sample flow capabilities, and reduced matrix effects in far less time than typical solid-phase extraction protocols. In our presentation we demonstrate how this proprietary, patent-pending sorbent addresses the needs of today’s analytical scientists by producing cleaner samples in not only less time but within a predictable time frame due to lack of plugging. For those conscious of environmental concerns and/or the cost of solvent waste disposal, solvent consumption can be reduced by almost a factor of two.

Dr. Xin Zhang is currently a senior research chemist at Waters Corporation. She received her Ph. D degree in analytical chemistry from University at Buffalo, The State University of New York in 2007. At Waters Corporation, she has worked in Consumables R&D and the Technology Advancement Department. She has been focused on evaluating different sample preparation techniques such as solid phase extraction(SPE), protein precipitation(PPT), solid supported liquid extraction (SSLE) as well as the Ostro Pass-through sample prepare technique. Recently, she has been working on simplified SPE procedures for the Oasis family. In addition, she also helps customers understand sample preparation by delivering educational seminars and trouble shooting. She can be contacted at xin_zhang@waters.com

7:00am – 8:00am

Exploring the Versatility of Microflow LC-MS – from Peptide Biomarkers to Small Molecules

Presenter: Jessica Prenni, Ph.D., Associate Professor, Department of Biochemistry and Molecular Biology Colorado State University

Presentation to be posted shortly.

Microfluidic technology offers multiple advantages including ease of use, robustness and sensitivity. Coupled with a tandem quadrupole mass spectrometer (such as the Xevo TQ-S) we can create an optimal and versatile “middle ground” platform in which these advantages can be exploited for both small molecule and peptide quantitative applications. For example, most small molecule applications are performed using standard flow chromatography (in the range of 600-100 μL/min) consuming a high level of both solvent and sample which increases the cost (both fiscally and environmentally). The use of microfluidic technology for these small molecule applications can reduce solvent consumption by upwards of 150-fold and can significantly increase on-column sensitivity, thus reducing sample consumption. Conversely, quantitative peptide assays are almost exclusively performed using nanoscale chromatography (~400 nL/min) to achieve the required sensitivity for detection of these low abundance molecules within a complex matrix (e.g. serum, urine, etc.). We have found that the use of microfluidic technology for peptide quantitation yields the same or better sensitivity when compared to a nanoscale platform and has the additional, very significant advantages of ease of use, robustness, and improved chromatographic resolution (e.g. peak capacity). Thus, with a single analytical platform we can perform quantitative analysis for a wide range of compounds spanning from small molecules to peptides. One application in which the technology has struggled is the analysis of compounds in negative ionization mode. This limitation has been overcome in the development of a next generation microfluidic device that incorporates post-column addition of isopropanol to improve ionization and spray stability in negative mode applications. With this new capability we can now perform quantitative experiments in negative mode or with polarity switching.

Dr. Jessica Prenni received her Ph.D. in Analytical Chemistry from the University of Colorado at Boulder followed by post-doctoral positions at the Scripps Research Institute in La Jolla, CA and Colorado State University. She is currently Associate Professor in the Department of Biochemistry and Molecular Biology and Director of the Proteomics and Metabolomics Facility at Colorado State University. A main focus of her work at CSU is to promote and facilitate the use of shared resources and expertise for the CSU research community. Her specific research focus is on the application of mass spectrometry for the analysis of biological molecules including both proteins and metabolites in broad research areas such as infectious disease, biofuels, agriculture, food quality, human and veterinary clinical science, and fundamental biochemistry.

Tuesday, June 2

7:00am – 8:00am

Medical Applications of Ambient Ionization Mass Spectrometry

Presenter: Professor Zoltan Takats, Professor of Analytical Chemistry, Faculty of Medicine, Department of Surgery & Cancer, Imperial College London

Presentation not available.

Mass spectrometric methods often requires elaborate sample preparation and chromatographic steps prior to the actual MS analysis, which can make MS methods expensive, complex and labor-intensive. Furthermore, multi-step protocols also increase the vulnerability of these methods to human error, contributing to the lack of overall robustness. Nevertheless, MS techniques possess unique capabilities which make their use desirable in state-of-the-art facilities, especially in cases where quantification of small molecular components (e.g. drug or natural metabolic constituent) is needed. With the advent of ambient ionization methods, the above mentioned constraints were largely lifted by providing means for sample-preparation-free MS testing. However, these methods were perceived as qualitative/semi-quantitative approaches not amenable to clinical diagnostics. In the course of the last 10 years, it was shown that ambient ionization mass spectrometric methods have potential to provide quicker, cheaper and more robust solutions in the field of traditional clinical chemistry applications and also the potential to extend the application of massspectrometry to other fields of diagnostics research. The presentation covers the fundamental principles of ambient mass spectrometry and will describe its applications on the field of tissue analysis, bacterial identification and therapeutic drug monitoring.

7:00am – 8:00am

The transformation of ion mobility and CCS technology into a core decision making tool

Presenters: Dr Cris Lapthorn, Researcher, University of Greenwich, and Russell Mortishire-Smith, Senior Consultant Scientist, Pharmaceutical Business, Waters Corporation

In this breakfast meeting we hosted a forum for sharing exciting new work in the field of ion mobility. Cris Lapthorn presented his and his peers work on cutting edge approaches that could transform the use of ion mobility and fully leverage the power of the next generation of core analytical instrumentation. Cris discussed making better decisions based on benchmarking and improving experimental and theoretical calculations. Finally, Russell Mortishire-Smith joined Cris to discuss areas where IMS and CCS could be deployed in the future.

Wednesday, June 3

7:00am – 8:00am

Bringing Glycan Analysis to a New Age of Enlightenment – A Discussion of Disruptive LC-MS Technologies and Workflows for Released Glycan and Glycoprotein Analysis

Presenters: Ying Qing Yu, Ph.D., Principal Scientist , Biopharmaceutical Business, Waters Corporation, and Matt Lauber, Ph.D., Principal Applications Chemist, Consumables Business Unit, Waters Corporation

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This breakfast seminar detailed the remarkable recent progress achieved in advancing technologies and workflows for glycan sample preparation, separations, and analysis by mass spectrometry. During this session you will learn about two new technologies that will greatly enhance the ability of researchers to profile and characterize glycoproteins:

RapiFluor-MS, a innovative new glycan labeling technology, that enables researchers to go from intact glycoprotein to a ready-to-analyze sample within 30 minutes, to obtain greater sensitivity for fluorescence-based quantification and to realize 150-1000x greater MS response versus other traditional and instant labeling technologies. We will describe the science behind this labeling technology and its integration into our UNIFI Software-based workflows for LC-MS glycan characterization, including the development of a new Glycan GU Library to streamline the process of glycan assignment. This revolution in labeling technology has not only improved the ability to obtain comprehensive characterization of released glycan mixtures, but combines with an equally disruptive technology, the ACQUITY QDa Mass Detector, to facilitate routine glycan profile monitoring with the confidence and increased selectivity imparted by mass detection.

Waters also introduced new workflows for glycoprotein and glycopeptide LC and LC-MS analysis at this year’s ASMS. A new UPLC separation technology based on a wide-pore HILIC stationary phase, our new column provides higher resolution separations of glycoproteins and glycopeptides, with significantly different selectivity versus conventional reversed-phase separations. This provides the ability to rapidly determine glycosylation site occupancy, to produce glycosylation profiles from multi-site glycoproteins, and to more clearly resolve resulting glycoform patterns at the glycopeptide level. Combining these separation capabilities with mass spectrometric analysis provides far greater information on glycoprotein structure than has been previously available at this level of analysis.

These two new technologies can greatly aid researchers studying glycosylated biotherapeutics and those interested in glycan-based systems biology.

7:00am – 8:00am

Progenesis QI: Your Gateway to Reliable Results. The latest on software developments and applications.

  • Introduction and ASMS highlights from Waters and Progenesis QI
    Presenter: Robert Tonge, Senior Product Manager OMICS Informatics, Waters Corporation, Manchester, UK
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  • Progenesis QI for proteomics: a first-rate solution for relative and absolute quantitative workflows
    Presenter: Richard Remko Sprenger, Senior Research Scientist and Laboratory Manager, Department of Biochemistry and Molecular Biology, University of Southern Denmark, Odense, Denmark
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  • Progenesis QI: Introducing an extra gear for complex data set handling in metabolomics
    Presenter: Geert Goeminne, VIB Department of Plant Systems Biology, University of Gent, Gent, Belgium
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Progenesis QI software enables you to Quantify and then Identify compounds that are significantly changing in your samples. With support for all common vendor data formats and a highly intuitive, visually guided workflow, Progenesis QI software helps you to rapidly, objectively and reliably discover compounds of interest using multi-group experimental designs, with the capability to handle the large sample sets typical of today’s experiments. As well as conventional data-dependent analysis (DDA), Progenesis QI supports Waters MSE and HDMSE data independent analysis (DIA). Uniquely, the software also takes advantage of the additional dimension of resolution offered by ion mobility separations to give improvements in the accuracy and precision of compound identification and quantification. In this Breakfast Seminar, we will introduce you to the workflows and concepts behind Progenesis QI and highlight the new features in the product. We then showcase the software with examples of small and large molecule analyses.

Metabolic profiling of plants involves the processing of huge complex data files containing thousand of mass spectral peaks. As the plant kingdom contains hundred thousands of small molecules of which only a very small percentage is identified up to now, it is still an elaborative task to interpret UPLC-HRMS data derived from any untargeted plant metabolomics study. In our lab most cases of metabolic profiling setups consists of the comparison between a set of normal plants and a set of mutant plants or often several allelic lines for a particular mutation, including biological repeats enabling advanced statistics. Elucidating the biological mechanisms that are affected by the introduction of a mutation is the final aim of the whole process. Therefore solid statistics and accurate compound identification strategies are crucial, but also the quality of basic chromatogram alignment and peak picking processes have a huge impact on the quality and the accuracy of the biological interpretation. Here we present a high throughput method for the metabolic profiling data processing of two mutant Maize lines compared to their wild type through Progenesis QI v 2.0. The aim of this study was to reveal the effect of the mutation on lignification processes in Maize with the focus on improving second generation crops for the production of bioethanol.

Rob Tonge
Robert Tonge is Senior Product Manager for OMICS Informatics at Waters Corporation, Manchester UK.
Robert has been at Waters for 4 years in both Product Development and Field Marketing and has approaching 20 years experience in OMICS science.
He trained initially in Biochemistry and Toxicology before moving to ‘Big Pharma’ where he worked in Discovery and Translational Research across a wide variety of disease areas from cancer, cardiovascular disease and infection research.

Richard SprengerRichard Sprenger is a cell biologist, proteomics expert and avid musician. He has a M.Sc in Medical Biology and a PhD in Medical Biochemistry from the University of Amsterdam, where he developed and applied novel quantitative LC-MS technologies to study vascular disease and metabolic disorders, and co-founded the Clinical Proteomics Facility at the Academic Medical Center (AMC) in Amsterdam. Afterwards he focused on refining all aspects of the proteomics toolbox at the Protein Research Group at the University of Southern Denmark (SDU) in Odense. He has published and co-authored over 20 papers in a wide variety of journals including JPR, MCP, JBC, as well as Chemistry & Biology, Blood and the ISME Journal. He recently joined the Lipid Research Group at SDU and established a new niche, proteolipidomics, combining state-of-the-art absolute quantitative lipidomics and proteomics approaches to uncover the regulatory circuitries of lipid metabolism.

Geert Goeminne Geert Goeminne:
• Bachelor Degree in Biochemistry
• Master Degree in Biotechnology and Biochemistry
• Started working at the department of Plant Systems Biology at VIB (Vlaams Instituut voor Biotechnologie/ Flemish Institute for Biotechnology), Ghent University, Technology Park Ghent, Belgium in 2000 until current
• Specialized in metabolomics and instrumentation such as HPLC, UPLC and low and high resolution LC-MS
• Focusing on generation of a high throughput metabolomics pipeline
• Belgian Nationality
• Born on 4th May 1976
• 28 co-author publications (1 Science paper)

7:00am – 8:00am

Practical Considerations for LC/MS Bioanalysis of Proteins via the Surrogate Peptide Approach

Presenter: Dr. Erin Chambers, Waters Corporation

Presentation to be posted shortly.

Proteins and peptides represent a growing class of therapeutics due to their target specificity, lower toxicity and higher potency. Historically, these compounds have been quantified using ligand binding assays (LBAs). Recently, there has been a growing trend toward the use of LC/MS which offers the benefits of multiplexing, improved specificity, broader linear dynamic range and faster method development times. In addition, LC/MS avoids common LBA shortcomings such as cross-reactivity and anti-drug antibody effects. However, one challenge associated with quantification of proteins by LC/MS is the lack of a single standardized workflow, and the multitude of options within a workflow that make optimization difficult and time-consuming. This workshop aimed to provide practical method development guidance and comparative data for the choice of surrogate peptide, protein-level pre-fractionation, pellet digestion, peptide-level clean-up, internal standard (IS) selection, and digestion conditions. Data for infliximab, bevacizumab, and trastuzumab will be presented.

New Launches at ASMS 2015:

Vion ion mobility ms

INTRODUCING VION IMS QTof

Go beyond resolution and move ion mobility mass spectrometry from research to routine. Waters’ innovation and commitment to ion mobility brings you our most exciting benchtop platform. Vion™ IMS QTof delivers the power of ion mobility to every scientist, for every analysis. Rely on ion mobility to clean up and simplify every spectrum, so interpreting your data is easier than ever before. Find, identify, and quantify your analytes confidently, enabling faster method development and higher sample throughput.
www.waters.com/Vion

REIMS research system

INTRODUCING REIMS RESEARCH SYSTEM

Available with either Xevo® G2-XS QTof or SYNAPT® G2-Si HDMS mass spectrometers and using Progenesis® QI software, the REIMS Research System brings rapid evaporative ionization to real-world applications such as food research. Fast, easy, direct-from-sample analysis with zero sample preparation is
combined with high performance time-of-flight mass spectrometry and intuitive, workflow-based informatics tools to quickly highlight differences between samples and confidently identify the compounds responsible.
www.waters.com/REIMS

Oasis Prime sample prep

INTRODUCING OASIS PRIME HLB

Using “good enough” sample preparation approaches that fail to adequately prepare samples can lead to shortened column precision due to ion suppression or enhancement. Solid phase extraction has long been recognized as an excellent solution to these problems but it has been perceived as time consuming and cumbersome. To overcome these issues, Waters has developed a new, easy-touse, streamlined approach that is based on a water-wettable, reversed-phase sorbent that produces high recoveries, improved sample flow and reduced matrix effects in far less time than typical solid-phase extraction protocols.
Get PRiMED at www.waters.com/prime

Featured Technologies at ASMS 2015:

FULL SPECTRUM MOLECULAR IMAGING

Full Spectrum Molecular Imaging combines advanced MS imaging technologies to provide comprehensive molecular distribution information from a variety of sample types. Integrating MALDI, DESI, ion mobility, and informatics workflows into a single system delivers a level of detail and molecular information beyond any individual imaging technique. The SYNAPT G2-Si HDMS based system dramatically expands imaging capabilities for the study of molecular distribution in fields such as proteomics, metabolomics, cell and tissue biology, research pathology, and histology.

GLYCOWORKS RAPIFLUOR-MS N-GLYCAN KIT

Sample preparation technology for released N-glycans delivers improvements in FLR and MS. Reimagine a streamlined, fast, and highly sensitive way to analyze released N-glycans. With just 3 easy steps in 30 minutes, the GlycoWorks™ RapiFluor-MS™ N-Glycan Kit reduces complicated, time-consuming sample preparation. RapiFluor-MS’s unique chemical attributes also provide increased fluorescence quantification and supreme mass spectral response. Now you can use a single label that provides valuable information whether you’re doing glycan characterization or monitoring.

UNIFI SCIENTIFIC INFORMATION SYSTEM V1.8

Following the launches of UNIFI® v1.6 and v1.7 in 2013 and 2014, respectively, Waters introduces UNIFI v1.8. UNIFI v1.8 is the only software solution supporting our new Vion IMS QTof instrument. The latest version of UNIFI v1.8 also includes APGC control, Tof MRM support, and CCS and Tof quantitative and qualitative workflows. All of which is acquired, processed, reviewed, and reported in UNIFI, providing a single software solution. New innovative features include noise reduction algorithms, reducing data file sizes without compromising data quality; an expanded network, increasing the number of active users; and server virtualization, helping to maximize your server resources. Many of the significant performance and usability improvements in UNIFI v1.8 are driven by feedback and requests by the Waters customer base. UNIFI v1.8 is a great leap forward for Waters’ next generation informatics platform.

PROGENESIS QI V2.1

Following the highly successful launches of Progenesis QI and Progenesis QI for proteomics v2.0 in 2014, we present an update to Progenesis QI with updated data import options for the latest generation of LC-MS instrumentation, additional database search options with NIST LC-MS/MS libraries, and further options to understand your omics data using Pathway Analysis. For proteomics and protein analysis customers, we will also have available a new version of ProteinLynx Global Server™ (PLGS v3.0.0), which has enhanced data import and export functionality along with performance improvements.

ACQUITY UPLC GLYCOPROTEIN BEH AMIDE 300Å COLUMN

Now scientists can obtain novel glycan-related information of biotherapeutic proteins at the intact glycoprotein, glycoprotein subunit, or glycopeptide level. Take advantage of new possibilities for routine monitoring or detailed characterization of monoclonal or fusion protein glycosylation, including site specific glycosidation.

HYDROGEN DEUTERIUM EXCHANGE WITH MS

ACQUITY UPLC M-Class System with HDX Technology and DynamX™ 3.0 Software. The ACQUITY UPLC® M-Class System with HDX Technology can be paired with the SYNAPT G2-Si System to answer protein structure and dynamics questions in hours – not days. Waters is the only technology partner with a fully integrated system for HDX MS. Purpose-built instrumentation. Automation. Enzymate™ Online Digestion Columns and consumables to ensure your success. State-of-the-art DynamX Software designed to deftly reduce complex data sets into actionable answers. With Waters, higher order structural insights are more accessible than ever with HDX MS.

CHEMISTRY CONSUMABLES AND STANDARDS

LC Columns, Sample Preparation, and Waters Analytical Standards and Reagents. Waters is committed to the development, production, and manufacture of innovative chromatographic consumable products that solve today’s most difficult challenges and enable your success. We are driven by our core mission: to provide enabling technologies in products that set the industry standard for performance, reproducibility, and quality.

MS ENABLING TECHNOLOGIES

See examples of key technology components and get a first-hand look at the unique and innovative engineering that drives our mass spectrometers.

MASS SPECTROMETRY SYSTEMS

Mass Detection

Waters’ innovative single quadrupole mass detectors are designed for robustness, to make access to mass spectral data easy for scientists with all levels of expertise. Designed for compatibility with UPLC, UPC2, HPLC, and AutoPurification, and with a wide range of ionization options, single quadrupole mass detection is an easy way to generate an extra dimension of information from your separation. The ACQUITY QDa® Detector is the industry’s most accessible, affordable, and usable mass detector. It is as intuitive as an optical detector with the robustness to handle all of your analyses.

Tandem Quadrupole

Xevo TQ-S, Xevo TQ-S micro, and Xevo TQD are the analytical tools of choice for all of your quantitative UPLC-MS/MS applications, delivering the ultimate in versatility for a wide variety of applications – both quantitative and qualitative. Xevo TQ-S and Xevo TQ-S micro feature a revolutionary off-axis ion-source technology, known as StepWave™ to allow you to quantify and confirm trace components at the lowest possible levels in the most complex samples. Xevo TQ-S offers ScanWave™ Technology for enhanced product ion scanning, and Xevo TQ-S, Xevo TQ-S micro, and Xevo TQD all have RADAR™ – for collection of highly specific quantitative data.

Quadrupole Time of Flight

The Xevo G2-XS QTof incorporates the XS Collision Cell and StepWave ion optics for unsurpassed levels of robust sensitivity and uses proven quantitative timeof- flight (QuanTof™) technology to simultaneously deliver superior qualitative and quantitative performance, and speed of analysis, allowing close integration with Waters’ industry-leading separations solutions, delivering the highest quality, most comprehensive information.

ION MOBILITY MS

SYNAPT G2-Si gives you access to the highest levels of information and enables you to make discoveries not possible with high mass resolution alone. High efficiency T-Wave™ Ion Mobility Separations (IMS) technology provides an additional, orthogonal dimension of separation that differentiates molecules on the basis of size, shape, ion charge, as well as mass.

GC-MS

Extend the capabilities of your LC-MS analytical instrumentation with Waters Atmospheric Pressure GC (APGC) Source. This source makes analytical instrumentation more universally applicable by incorporating the ability to perform APGC-MS on a single MS platform. It delivers the flexibility to analyze volatile and semi-volatile compounds of low and intermediate polarity, traditionally analyzed by dedicated vacuum GC-MS instruments.

LABORATORY INFORMATICS

MassLynx

MassLynx® Software increases the speed at which sample data is converted into valuable knowledge – acquire, analyze, manage, and share mass spectrometry information. MassLynx Application Managers streamline application-specific data processing.

UNIFI Scientific Information System

Waters UNIFI® Scientific Information System is the first software platform to merge LC and high performance MS data into a single solution that encompasses data acquisition, processing, visualization, reporting, and configurable compliance tools within a workstation or networked laboratory environment. Available as part of a platform and/or application-specific solutions, such as Biopharmaceutical, Regulated Bioanalysis, Screening, Forensic Toxicology Screening, Metabolite Identification, Natural Products, and Pesticide Screening. The vision of the UNIFI Scientific Information System centers on harmonizing Waters’ software solutions, that were once separated into an integrated platform revolutionizing laboratory informatics.

NuGenesis Lab Management System

Waters NuGenesis® Lab Management System uniquely combines data, workflow, and sample management capabilities to support the entire product lifecycle from discovery through manufacturing. The user-centric platform, which encompasses NuGenesis SDMS, NuGenesis ELN, and NuGenesis Sample Management, seamlessly links data from the lab to the business operations of the enterprise. NuGenesis readily adapts to your organization’s existing informatics environments, facilitating software integration and standardization without the complex, costly, and time consuming deployments often encountered with traditional information management solutions.

DynamX HDX Data Analysis Software 3.0

DynamX™ HDX Data Analysis Software 3.0 is designed to systematically select spectra and measure the mass change of the deuterated form. Taking advantage of the sharper peaks and better separations available with UPLC,® along with comprehensive MS detection, the software is able to automate data sorting and display – an important improvement for HDX MS.

Nonlinear Dynamics, a Waters Company

Progenesis QI

Progenesis® QI enables you to rapidly, objectively, and reliably quantify and then identify the compounds that are significantly changing in your samples. With support for all common vendor data formats, a guided workflow, and a highly intuitive visual interface, Progenesis QI helps overcome your data analysis challenges.

Progenesis QI for proteomics

Progenesis QI for proteomics enables you to quantify and identify proteins in your complex samples using the advantages of label-free analysis. It has a simple, menu-guided workflow for differential protein expression and characterization of single or fractionated samples from multi-group experimental designs.

Omics, LLC

PetroOrg Petroleomics Software

The combined solution of Omics LLC’s PetroOrg Petroleomics Software and Waters’ unique ion mobility high-resolution mass spectrometry platform (SYNAPT G2-Si) delivers time saving performance, enhanced results, and comprehensive data for chemical composition characterization of petroleum.

UNIVERSAL ION SOURCES

Change your ion source, not your instrument. The growing emphasis on efficiency and productivity in the laboratory demands analytical systems that are not only robust and reliable, but that also have the flexibility to accomplish a wide variety of tasks today, while future-proofing for the innovations of tomorrow. Waters’ Universal Ion Source Architecture enables the widest range of ionization techniques to be utilized universally across a single analytical platform meaning scientists can achieve the highest performance, without compromise, the ionization source options are quick and easy to interchange.

Partner Sources

Also available through a range of partners, and compatible with Waters Mass Spectrometers are LAESI (Protea), DART (ionSense), and LDTD (Phytronix).

Experience the best of ASMS with Waters

Learn more about Waters latest technologies and innovations that enable superior performance in your lab and allow you to succeed in the science of what’s possible.

POSTERS AND ORALS

DOWNLOAD POSTERS

Monday, June 1

Orals

Main Session: Quantitative Analysis in Drug Discovery for Small Molecules

Ballroom 220/221
4:10pm – 4:30pm

Comparison of travelling wave IMS-QTof geometries and acquisition modes for quantitative analysis

Mark Wrona 1 ; Yun Alelyunas1 ; Jayne Kirk2 ; Martin Palmer2 ; Nick Tomczyk2 ; Russell Mortishire-Smith2
1 Waters Corporation, Milford, MA; 2 Waters MS Technologies, Wilmslow, United Kingdom

Main Session: Advances in Software and Hardware to Improve DMPK Workflows

Ballroom 220/221
9:10am – 9:30am

Fully integrated novel IMS-QTof informatics platform for rapid drug screening and elucidation

Russell Mortishire-Smith 1 ; Jayne Kirk1 ; Nick Tomczyk1 ; Martin Palmer1 ; Richard Denny1 ; Alan Prile1 ; Simon Cubbon1 ; Yun Alelyunas2 ; Mark Wrona2
1 Waters MS Technologies, Wilmslow, United Kingdom; 2 Waters Corporation, Milford, MA

Main Session: Energy, Petroleum, & Biofuels: Advances in MS Design & Informatics

Ballroom 222/224
8:30am – 8:50am

Comparison of atmospheric solid analysis probe with other atmospheric pressure ionization sources by ion mobility-mass spectrometry using PetroOrg software

Mathilde Farenc (1, 5) ; Yuri E. Corilo(2, 3) ; Priscila M. Lalli3 ; Eleanor Riches4 ; Ryan P. Rodgers2 ; Carlos Afonso1 ; Pierre Giusti5
1 University of Rouen, Mont Saint Aignan, France; 2 National High Magnetic Field Laboratory, Tallahassee, FL; 3 Future Fuels Institute, Tallahassee, FL; 4 Waters Corporation, Wilmslow, UK; 5 TOTAL Refining and Chemicals, Gonfreville l’Orcher, France

Main Session: Energy, Petroleum, & Biofuels: Advances in MS Design & Informatics

Ballroom 222/224
9:50am – 10:10am

Algae Biomass Characterization by Traveling Wave Ion Mobility Mass Spectrometry

Maira Fasciotti 1 ; Ingrid Chastinet Ribeiro1 ; Paulo Roque Martins Silva1 ; Thays V. Monteiro1 ; Gustavo H. M. F. Souza2 ; Julia Itacolomy da Silva1 ; Romeu J. Daroda1 ; Valnei S. Cunha1 ; Claudia Maria Luz Lapa Teixeira3 ; Amarjit S. Sarpal1
1 Inmetro, Duque De Caxias, Brazil; 2 Waters Coorporation, Rio de Janeiro, Brazil; 3 National Institute of Technology, INT, Rio de Janeiro, Brazil

Posters

Poster 239 – Natural Products

Utilization of a Novel Geometry Travelling Wave IMS/Q-TOF Mass Spectrometer for Natural Products Profiling

Anthony T. Iavarone1 ; Ulla N. Andersen1 ; Darren Hewitt2 ; Andrew Baker 3
1 UC Berkeley, Berkeley, CA; 2 Waters, Wilmslow, UK; 3 Waters, Inc., Pleasanton, CA

Poster 245 – Natural Products

A Comprehensive Platform for the Identification and Mode of Action Characterization of Bioactive Natural Products from Complex Libraries

Roger G. Linington 1 ; Kenji L. Kurita1 ; Giorgis Isaac2 ; Mark Wrona2 ; Kate Yu2
1 University of California Santa Cruz, Santa Cruz , CA; 2 Waters Corporation, Milford, MA

Poster 244 – Natural Products

Screening and Identification of Undeclared Synthetic Compounds as Adulterants using UPLC-Qtof-MS Coupled to a Novel Informatics Platform

Dhavalkumar Narendrabhai Patel1 ; Lirui Qiao2 ; Jimmy Yuk 3 ; Giorgis Isaac3 ; Kate Yu3
1 Waters Pacific Private Ltd, Singapore, Singapore; 2 Waters Corporation, Shanghai, China; 3 Waters Corporation, Milford, MA

Poster 133 – Ion Mobility: Theory

Comparison of CCS(N2) measurements obtained from two different T-wave IMS systems with direct measurements using a drift tube IMS

Kevin Giles; Martin Palmer; Keith Richardson; Nick Tomczyk
Waters MS Technologies, Wilmslow, United Kingdom

Poster 651 – Energy: Hydrocarbon and Petrochemical

Supercritical Fluid Chromatography Coupled with Ion Mobility-Mass Spectrometry for Comprehensive Profiling of Petroleum Samples

Eleanor Riches 1 ; Yunju Cho2 ; Sunghwan Kim2
1 Waters Corporation, Wilmslow, United Kingdom; 2 Chemistry Department, Kyungpook National Universit, Daegu, South Korea

Poster 600 – Glycoproteins: Method Development

Rapid Preparation of Released N-Glycans for HILIC Analysis Using a Novel Fluorescence and MS-Active Labeling Reagent

Matthew Lauber 1 ; Ying-Qing Yu1 ; Darryl Brousmiche1 ; Jeffrey Thomson2 ; Seamus O’Connor2 ; Zhengmao Hua1 ; Stephan Koza1 ; Paula Magnelli3 ; Ellen Guthrie3 ; Chris Taron3 ; Kenneth Fountain1
1 Waters Corporation, Milford, MA; 2 Regeneron Pharmaceuticals, Rensselar, NY; 3 New England Biolabs, Ipswich, MA

Poster 146 – Ion Mobility: Instrumental

Characterizing a T-Wave Enabled Multi-pass Cyclic Ion Mobility Separator

Kevin Giles ; Jason L Wildgoose; Steven Pringle; David Langridge; Peter Nixon; John Garside; Peter Carney
Waters Corporation, Wilmslow, United Kingdom

Poster 277 – Drug Discovery/DMPK/ADME

Automated in vitro ADME screening analysis in a small footprint, using TQ-S micro triple quadrupole mass spectrometer

Yun Alelyunas; Kelly Doering ; Stephen McDonald; Mark Wrona
Waters Corporation, Milford, MA

Poster 205 – Top down Protein Analysis: Relatively Pure Sample

Improving Protein Sequence Coverage and Identification of Oxidation Sites via Top/Middle -Down Fragmentation and Ion-mobility Time-of-flight Mass Spectrometry

Stephane Houel1 ; Catalin Doneanu1 ; Asish Chakraborty 1 ; Andrew Tudor2 ; Nick Tomczyk2 ; Martin Palmer2 ; Weibin Chen1
1 Waters Corp, Milford, MA; 2 Waters MS Technologies, Wilmslow, United Kingdom

Poster 144 – Ion Mobility: Instrumental

Ultra-definition multiplex acquisition (UDMSE) of whey protein supplements by traveling wave ion mobility mass spectrometry (TWIM-MS)

Gustavo H. M. F. Souza 1 ; MaÃ-ra Fasciotti2 ; Bruno C. Garrido2 ; Daniela C. Lourenço2 ; Andrea F. Macedo3 ; Mariana S. L. Ferreira3 ; Luiz Claudio Cameron3
1 Waters Corporation, Rio de Janeiro, Brazil; 2 INMETRO, Duque De Caxias, Brazil; 3 UNIRIO, Rio de Janeiro, Brazil

Poster 435 – Informatics: Algorithms and Statistical Advances

Identifying Targeted Compounds in Un-Supervised Ion Clusters Using Advance Proteome Modeling

Keith Fadgen ; Steve Ciavarini; Scott Geromanos
Waters Corporation, Milford, MA

Poster 188 – H/D Exchange: Hardware, Software and Methodology

The nuances in pressurized on-line pepsin digestions of mAbs and the implications for hydrogen/deuterium exchange mass spectrometry

Jing Fang ; Ying-Qing Yu; Asish Chakraborty; Keith Fadgen; Michael Eggertson; Weibin Chen
Waters Corporation, Milford, MA

Poster 327 – Diagnostic Clinical Chemistry

Intraoperative Tissue Identification using Rapid Evaporative Ionization: Principles of Real-time MS-guided Surgery

Julia Balog (1, 2) ; Edward R St. John2 ; Babar Vaqas2 ; James L Alexander2 ; David Phelps2 ; Mike Morris1 ; Steven Pringle1 ; Zoltan Takats2
1 Waters Corporation, Wilmslow, United Kingdom; 2 Imperial College London, London, United Kingdom

Poster 38 – Ambient Ionization: Application

Rapid Evaporative Ionization Mass Spectrometry for Intraoperative Breast Cancer Margin Detection

Edward R St. John 1 ; Julia Balog(1, 2) ; Laura J Muirhead1 ; Abigail VM Speller1 ; Emrys A Jones2 ; Rathi Ramakrishnan1 ; Steven Pringle2 ; Ara Darzi1 ; Daniel R Leff1 ; Zoltan Takats1
1 Imperial College London, London, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Poster 131 – Ion Mobility: Theory

Predicting Theoretical Collision-cross Sections for Small Molecules

Bela Paizs 1 ; Keith Richardson2 ; Jeff Brown2 ; Mike Morris2 ; Zoltan Takats3
1 Bangor University, Bangor, UK; 2 Waters Corporation, Wilmslow, United Kingdom; 3 Imperial College London, London, N/A

Poster 212 – Top down Protein Analysis: Relatively Pure Sample

Development of a diagnostic technique for the identification of hemoglobin variants

Matthew Edgeworth 1 ; Jeff Brown2 ; Jonathan Williams2 ; James Scrivens1
1 Univ of Warwick, Coventry, United Kingdom; 2 Waters, Wilmslow, UK

Poster 287 – Drug Discovery/DMPK/ADME

Evaluation of Supercritical Fluid Chromatography/Mass Spectrometry for Use in PK/PD Studies

Fangbiao Li 1 ; Bernard Choi1 ; Cynthia M. Chavez-Eng1 ; Christopher Kochansky1 ; Eric Streakfuss1 ; Joan Ellis1 ; Bang-lin Wan1 ; Emily Adarayan1 ; Brad Coopersmith2 ; Richard Depinto2 ; Isabelle Vutrieu2 ; Eva Gallea2 ; Lucinda Cohen1 ; Rena Zhang1 ; Kevin Bateman1
1 Merck Research Laboratories, West Point, PA; 2 Waters, Richboro, PA

Poster 318 – Diagnostic Clinical Chemistry

Coupling of in-vivo Ultrasonic Neuronavigational System and Rapid Evaporative Ionization Mass Spectrometry for the Identification of Brain Tumors during Neurosurgery

Babar Vaqas 1 ; Julia Balog(1, 2) ; Federico Roncaroli1 ; Steven Pringle2 ; Kevin O’Neill1 ; Zoltan Takats1
1 Imperial College London, London, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Poster 401 – Metabolomics: Quantitative Analysis

Improved performance of targeted metabolome analysis with Waters Xevo® TQ-S and Xevo® TQ-S micro instruments

Ines Zitturi 1 ; Christian Wachsmuth1 ; Harold Zott1 ; Michael Daxback1 ; Cornelia Rahring1 ; Therese Koal1 ; Andrew Peck2
1 Biocrates Life Science AG, Innsbruck, Austria; 2 Waters Corporation, Milford, MA

Poster 482 – Biomarkers: Quantitative Analysis (Protein)

Quantitation of calcyclin and heat shock protein 90 in serum from preeclampsia patients by 2D nano LC-MSMS

Cokun Gazel 1 ; Caroline B. van den Berg1 ; Regine P.M. Steegers- Theunissen1 ; Lennard Dekker1 ; Johannes P.C. Vissers2 ; Eric A.M. Steegers1 ; Theo M. Luider1
1 Erasmus Medical Center, Rotterdam, Netherlands; 2 Waters Corporation, Manchester, UK

Poster 590 – Glycoproteins: Method Development

N-glycan analysis: combining the power of a novel glycan label and customized scientific library for confident glycan assignment

Mark Hilliard 1 ; Niaobh McLoughlin1 ; Pauline Rudd1 ; Ying Qing Yu2
1 NIBRT, Dublin, Ireland; 2 Waters Waters Corporation, Milford, MA.

Poster 631 Systems Biology: Other

Studies of Heart Regeneration in Zebrafish: A Multi-Omics/System Biology Approach

Leanne C. Nye 1 ; Lee Gethings2 ; Cheng Shuk Han3 ; Yun Wah Lam3 ; Fatemeh Babaei3 ; Chi Chi Liu3 ; Alfred W. H. Chan3 ; Robert Plumb4 ; Ian D. Wilson1
1 Imperial College, London, UK; 2 Waters Corporation, Wilmslow, UK; 3 City University, Hong Kong, Hong Kong; 4 Waters, Milford, MA

Tuesday, June 2

Orals

Main Session: Instrumentation: Time-of-flight and QTOF

Hall 5
8:50am – 9:10am

Novel operating modes of an ion mobility quadrupole time-of-flight hybrid instrument

Jason L Wildgoose ; Kevin Giles; Keith Richardson; Steven Pringle
Waters Corporation, Manchester, United Kingdom

Main Session: Imaging: Instrumentation & Method Development

Room 123/124
8:50am – 9:10am

Enhancing the analytical capabilities of DESI imaging using ion mobility separation- providing superior insights of biological samples

Emmanuelle Claude 1 ; Emrys A Jones(1, 3) ; Mark Towers1 ; Karolina Skraskova2 ; Ron M.A. Heeren2 ; Jim Langridge1
1 Waters Corporation, Wilmslow, United Kingdom; 2 Maastricht University, Maastricht, NL; 3 Imperial College London, London, UK

Posters

Poster 202 – Metabolomics: Untargeted Metabolite Profiling II

A mass-spectrometry-based metabolic phenotyping strategy to investigate the molecular response to ionizing radiation

Evagelia Laiakis2 ; Katrin Strassburg3 ; Steven Lai1 ; Robert Vreeken(3, 4) ; Thomas Hankemeier3 ; Jim Langridge1 ; Robert Plumb1 ; Albert Fornace Jr2 ; Giuseppe Astarita (1, 2)
1 Waters Corporation, Milford, MA; 2 Georgetown University, Washington, DC; 3 Leiden University, Leiden University, Netherlands; 4 Janssen Pharmaceutica, Discovery Sciences, Beerse, Belgium

Poster 241 – Lipidomics: New Technologies

Targeted and Untargeted Lipidomics using an Integrated Microfluidics Mass Spectrometry Technology

Steven Lai ; Paul Rainville; Angela Doneanu; Jay Johnson; James Murphy; Robert Plumb; Giuseppe Astarita
Waters Corporation, Milford, MA

Poster 123 – High Mass Accuracy/High Performance MS: Instrumentation

A novel method of m/z drift correction for oa-TOF mass spectrometers based on construction of libraries of ‘matrix’ components

Martin Green ; Keith Richardson; Martin Palmer; Nick Tomczyk
Waters Corporation, Manchester, UNITED KINGDOM

Poster 187 – Metabolomics: Untargeted Metabolite Profiling I

Structural Elucidation of the Metabolome using Isotopic Ratio Outlier Analysis (IROA) in combination with UHPLC-QTOF and Data-Independent Acquisition

Chris Beecher 1 ; Felice de Jong1 ; Giuseppe Astarita2
1 IROA Technologies, Ann Arbor, MI; 2 Waters Corporation, Milford, MA

Poster 109 – High Mass Accuracy/High Performance MS: Applications

Enhancing Precursor and Product Ion Alignment of Chimeric Spectra

Roy Martin ; Steve Ciavarini; Brad Williams; Scott Geromanos

Waters Corporation, Milford, MA

Poster 156 – Data Independent Acquisition

Accurate Determination of the Charge State of a Single Ion Detection

Steve Ciavarini ; Scott Geromanos
Waters Corporation, Milford, MA

Poster 297 – Environmental Analysis: Pharmaceuticals and Pesticides

Impurity Characterization of the Fungicide Flutriafol using Liquid Chromatography and Time of Flight MS Detection to Aid Pesticide Product Registration

Marian Twohig1 ; Oliver Burt 2 ; Gordon Fujimoto3 ; Peter Lee1 ; John McCauley4

1 Waters Corporation, Milford, MA; 2 Waters Corporation, Wilmslow, UK; 3 Waters Corporation, Beverly, MA; 4 Waters Corporation, New Castle, DE

Poster 544 – Proteomics: New Approaches – Innovative Methods

Using Advanced Proteome Modeling to Initiate Real-Time Intelligent Time Based Acquisitions

Scott Geromanos ; Steve Ciavarini
Waters Corporation, Milford, MA

Poster 10 – Ambient Ionization: Application

Rapid, direct technique for the discrimination of meat tissues originating from different animal species for food authenticity

Sara Stead ; Simon Hird; Julia Balog; Alex Hooper; Steve Pringle; Mike Wilson; Mike Morris
Waters corp, Manchester, UK

Poster 510 – Protein Therapeutics: Structural Characterization

A novel data-directed approach for comprehensive disulfide bond mapping in biotherapeutic proteins

Stephane Houel ; Scott Geromanos; Steve Ciavarini; Weibin Chen
Waters Corp, Milford, MA

Poster 215 – Metabolomics: Untargeted Metabolite Profiling II

Detection of Novel Biomarkers of Drug Toxicity Using Exploratory and Targeted Micro Scale LC/MS Analysis: A Metabolic Phenotyping Approach

Robert Plumb (1, 2) ; Ian Wilson(1, 2)
1 Imperial College, London, UK; 2 Imperial College, London, UK

Poster 313 – Environmental Analysis: Pharmaceuticals and Pesticides

Atmospheric Pressure Ionization Coupled to Tandem Quadrupole Mass Spectrometry for the Analysis of Pyrethroids in Waste Water

Adam Ladak 1 ; Lauren Mullin3 ; Hernando Olivos1 ; Douglas Stevens2

1 Waters, Beverly, MA; 2 Waters, Milford, MA; 3 MTM Research Centre, Ã-rebro University, Ã-rebro, Sweden

Poster 329 – Food Safety

Atmospheric Pressure Ionization GC Coupled to Time of Flight Mass Spectrometry for the Analysis of Agriculture Residues in Food Safety

Gordon Fujimoto 1 ; Andrew Baker2 ; Adam Ladak1 ; Kerri Smith1

1 Waters Corporation, Beverly, MA; 2 Waters, Inc., Pleasanton, CA

Poster 79 – Instrumentation: General

Trajectory Calculations of Space Charge Effects in Ion Traps Via an Iterative Solution ohe Poisson Equation

David Langridge
Waters, Wilmslow, United Kingdom

Poster 620 – Biomarker: Quantitaitve Analysis (non-protein, lipids/metabolites/compounds)

Development of a high-sensitivity micro LC/MS method for estradiol quantification in human plasma

Angela Doneanu1 ; James Murphy 2
1 Waters, Milford, MA; 2 Waters Corporation, Milford, MA

Poster 70 – Instrumentation: General

Enabling fast prototyping and customisation of mass spectrometer control software

Jeff Brown ; Emmy Hoyes; Richard Newton; Christopher Jones; Darren Hewitt; Wright Steven; Rennie Birch; David Langridge; Keith Richardson; Richard Chapman

Waters Corporation, Wilmslow, UK

Poster 67 – Instrumentation: General

A New High-Resolution, Temperature-Variable Ion Mobility Mass Spectrometer

Jakub Ujma 1 ; Kevin Giles2 ; Michael Morris2 ; Perdita Barran1
1 The University of Manchester, Manchester, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Poster 73 – Instrumentation: General

Surface induced dissociation utilized to characterize protein complexes trapped in the trap cell of a Q-TOF instrument

Jing Yan 1 ; Sophie R. Harvey1 ; Jeff Brown2 ; Emmy Hoyes2 ; Vicki H. Wysocki1
1 The Ohio State University, Columbus, OH; 2 Waters Corporation, Wilmslow, UK

Poster 92 – Instrumentation: New Deveopments in Ionization and Sampling

A Universal source for ionization of polar and nonpolar compounds: Testing its applicability to petroleomic studies

Heliara Lopes Nascimento 1 ; Marcos Pudenzi1 ; Vanessa Santos1 ; Celio Fernando Angolini1 ; Pedro Vendramini1 ; Jose Luiz Jara1 ; Rosana Cardoso Lopes Pereira2 ; Wagner Leonel Bastos2 ; Michael Murgu3 ; Marcos N. Eberlin1
1 Thomson Unicamp- Brasil, Sao Paulo, BRAZIL; 2 Petrobras, RJ, Brasil; 3 Waters Brasil, Barueri, SP – Brasil

Poster 207 – Metabolomics: Untargeted Metabolite Profiling II

Enhanced metabolite profiling using Atmospheric Pressure Gas Chromatography (APGC) coupled with ion mobility MS

Manoj Ghaste 2 ; Giuseppe Astarita3 ; Fulvio Mattivi2 ; Vladimir Shulaev1
1 University of North Texas, Denton, TX; 2 Fondazione Edmund Mach, San Michele all’Adige, TN, Italy; 3 Waters Corporation, Milford, MA

Poster 233 – Drug Metabolism: Qualitative Analysis

Comprehensive metabolite detection by utilising both positive and negative ionization on an integrated microfluidic-ion source with CCS measurements

Richard Gallagher 1 ; Christine Pattison1 ; Kathryn Pickup1 ; John Chipperfield2 ; Mike McCullagh2 ; Jim Murphy3 ; David Douce2
1 AstraZeneca, Macclesfield, UK; 2 Waters (MS Technologies), Wilmslow, United Kingdom; 3 Waters, Milford, USA

Poster 250 – Lipids: General

Supercritical Fluid Chromatography – Mass Spectrometry and Lipids – A Perfect Marriage

John Langley 1 ; Julie Herniman1 ; Caroline Sayer1 ; Joost Brandsma2 ; Tom Sutton2 ; Waraporn Ratsameepakai1 ; Tim Jenkins3
1 Chemistry, University of Southampton, Southampton, United Kingdom; 2 Medicine, University of Southampton, Southampton, United Kingdom; 3 Waters Corporation, Wilmslow, United Kingdom

Poster 409 – Proteins: General

A knowledge-based approach to developing a mass spectrometry method for detection of gluten in ‘free-from’ foods

Sophie Bromilow 1 ; Lee A Gethings2 ; Prof. Peter Shewry3 ; Michael Buckley1 ; Michael Bromley4 ; Phil Johnson1 ; Prof. Clare Mills1
1 University of Manchester, Manchester, United Kingdom; 2 Waters, Manchester, N/A; 3 Rothamsted Research, Harpenden, United Kingdom; 4 Synergy Health, Swindon, United Kingdom

Poster 514 – Proteomics: Infectious Disease

Targeted proteomics of human metapneumovirus in clinical samples and viral cultures

Matthew Foster 1 ; Geoff Gerhardt2 ; Lynda Robitaille3 ; Guy Boivin3 ; Jacques Corbeil3 ; Arthur Moseley1
1 Duke University Medical Center, Durham, NC; 2 Waters Corp., Milford, MA; 3 Université Laval, Quebec, Canada

Poster 608 – Biomarker: Quantitaitve Analysis (non-protein, lipids/metabolites/compounds)

The analysis of sweat biomarkers in mechanically-loaded tissues using SFC-MS

Julie Herniman 1 ; G. John Langley1 ; Rachel Greenhill1 ; Peter Worsley2 ; Dan Bader2 ; Tim Jenkins3
1 Chemistry, University of Southampton, Southampton, United Kingdom; 2 Health Sciences, University of Southampton, Southampton, United Kingdom; 3 Waters Corporation, Wilmslow, United Kingdom

Poster 643 – Disease Biomarkers

Determination of Polyp & Cancer-free Resection Margins in Colonoscopy, Complex Pelvic and Colonic Surgery using Rapid Evaporative Ionization Mass Spectrometry

James L Alexander 1 ; Julia Balog(1, 2) ; Alasdair J Scott1 ; Abigail VM Speller1 ; Laura J Muirhead1 ; James Kinross1 ; Julian P Teare1 ; Zoltan Takats1
1 Imperial College London, London, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Wednesday, June 3

Orals

Main Session: Antibodies and Anti-body Drug Conjugates

Ballroom 220/221
2:50pm – 3:10pm

In-depth characterization of lysine-conjugated antibody-drug conjugates (ADCs) by a multiplexed MS/MS data acquisition strategy combined with multi-enzyme digestion

Liuxi Chen 1 ; Robert Birdsall1 ; Henry Shion1 ; Ying-Qing Yu1 ; Frank Kotch2 ; April Xu3 ; Thomas Porter4 ; Weibin Chen1
1 Waters Corporation, Milford, MA; 2 Pfizer Bioprocess Research & Development, Pearl River, NY; 3 Pfizer Analytical Research & Development, Pearl River, NY; 4 Pfizer Analytical Research & Development, Andover, MA

Main Session: Mass Spectrometry in Structural Biology

Room 106
8:30am – 8:50am

Measuring the binding interfaces of protein complexes by gas-phase hydrogen/deuterium exchange mass spectrometry (gas-phase HDX-MS)

Ulrik H. Mistarz 1 ; Jeffery M. Brown2 ; Kim F. Haselmann3 ; Kasper D. Rand1
1 Department of Pharmacy, University of Copenhagen, Copenhagen, Denmark; 2 Waters MS Technologies Centre, Wilmslow, U. K.; 3 Diabetes Protein Engineering, Novo Nordisk A/S, Denmark

Main Session: Ambient & Atmospheric Pressure Generation of Multiply-charged Ionic Species

Hall 5
8:50am – 9:10am

A suite of liquid UV-AP-MALDI techniques for the generation of multiply charged ions at high sensitivity with stable, long-lasting yield

Pavel Ryumin1 ; Jeff Brown(1, 2) ; Mike Morris2 ; Rainer Cramer 1
1 University of Reading, Reading, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Main Session: Ion Mobility: Structures

Room 123/124
8:50am – 9:10am

Pushing the boundaries of small molecule analysis: using ion mobility MS and gas-phase infrared spectroscopy to study protonation site isomers

Jasper Boschmans 1 ; Stephan Warnke2 ; Jongcheol Seo2 ; Jonathan P. Williams3 ; Kevin Pagel(2, 4) ; Gert von Helden2 ; Filip Lemière1 ; Frank Sobott1
1 University of Antwerp, Antwerp, Belgium; 2 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany; 3 Waters Corporation, Manchester, UK; 4 Freie University Berlin, Berlin, Germany

Wednesday, June 3

Posters

Poster 568 – Ion Mobility: Structures

Investigation of Ion Mobility Mass Spectrometry Analysis of Electrochemically Generated Oxidation Products of Opiates and Comparison with Theoretical CCS Values

Cris Lapthorn1 ; Frank Pullen1 ; Susana da Silva Torres2 ; Mark R. Taylor2 ; Russell Mortishire-Smith3 ; Jayne Kirk 3 ; Andrew Baker4
1 University of Greenwich, Chatham Maritime, UK; 2 Pfizer, Sandwich, UK; 3 Waters Corp, Manchester, UK; 4 Waters, Inc., Pleasanton, CA

Poster 521 – Imaging MS: Sample Preparation

Rapid Psuedo-separations of Biological Samples Combined with MALDI Imaging

Steve Bajic; Paul Murray; Mark Towers
Waters Corporation, Wilmslow, UK

Poster 476 – Instrumentation: New Concepts

Two dimensional MS-MS on a Q-ToF utilizing a scanning quadrupole mass filter and an ultra fast data acquisition system

Jason L Wildgoose; Keith Richardson ; Martin Green
Waters Corporation, Wilmslow, United Kingdom

Poster 70 – Instrumentation: General

Enabling fast prototyping and customization of mass spectrometer control software

Jeff Brown ; Emmy Hoyes; Richard Newton; Christopher Jones; Darren Hewitt; Wright Steven; Rennie Birch; David Langridge; Keith Richardson; Richard Chapman
Waters Corporation, Wilmslow, UK

Poster 549 – Imaging MS: Method Development I

An investigation into multi-model tissue imaging on a single section by DESI and MALDI TOF mass spectrometry

Mark Towers 1 ; Emrys Jones1 ; Anna Mroz2 ; Zoltan Takats2 ; Emmanuelle Claude1 ; Jim Langridge1
1 Waters Corporation, Wilmslow, United Kingdom; 2 Imperial College London, London, United Kingdom

Poster 148 – Drug Metabolism: Quantitative Analysis

Exploring extra sensitivity using microfluidics, high resolution MS and 2D trap and elute for small molecule pharmaceutical analysis

Yun Alelyuna ; Kelly Doering; Angela Doneanu; Gregory Roman; James Murphy; Mark Wrona
Waters Corporation, Milford, MA

Poster 85 – Food ‘omics': MS Characterization of Food and Nutritional Supplements

Basmati or Not Basmati? That is the Question

Gareth Cleland 1 ; Adam Ladak2 ; Steven Lai2 ; Ron Stemmler2 ; Jennifer Burgess1
1 Waters Corporation, Milford, MA; 2 Waters Corporation, Beverly, Massachusetts

Poster 325 – Informatics: Peptide ID and Quantification

Optimizing the Acquisition Landscape Utilizing a Hybrid DIA/SWATH/DDA Workflow

Brad Williams ; Steve Ciavarini; Scott Geromanos
Waters Corporation, Milford, MA

Poster 671 – Antibody and Antibody: Drug Conjugates II

Localizing the Conjugation Sites of Cysteine-Conjugated Antibody Drug Conjugates by Improved LC-MS Subunit Analysis for ADC Positional Isomer Identification

Henry Shion 1 ; Robert Birdsall1 ; Liuxi Chen1 ; Ying-Qing Yu1 ; Frank W. Kotch3 ; April Xu2 ; Thomas J. Porter4 ; Weibin Chen1
1 Waters Biopharmaceutical Business Operations, Milford, MA; 2 3Pfizer Analytical Research & Development, Pearl River, NY; 3 2Pfizer Bioprocess Research & Development, Pearl River, NY; 4 4Pfizer Analytical Research & Development,, Andover, MA

Poster 458 – Nanoscale and Microfluidic Separations and MS

Increasing Sensitivity and Minimizing Sample Volume for the Quantification of Therapeutic and Endogenous Cyclic Peptides using an integrated microfluidic device.

Erin E. Chambers; Mary Lame; Markus Wanninger
Waters Corporation, Milford, MA

Poster 465 – Nanoscale and Microfluidic Separations and MS

Transferring an analytical-scale LC method to an integrated microfluidic device for Quantification of Human Insulin and 5 Analogs in Plasma

Erin E. Chambers ; Mary Lame; Markus Wanninger
Waters Corporation, Milford, MA

Poster 280 – Biomarkers Discovery

High-definition qualitative and quantitative proteomics of a Parkinson’s disease zebrafish model

Joanne B. Connolly 1 ; Kari E. Fladmark2 ; Edward Burton3 ; Ann Kristin FrÃ,yset2
1 Waters, Manchester, United Kingdom; 2 University of Bergen, Bergen, Norway; 3 University of Pittsburgh, Pittsburgh, PA

Poster 267 – Lipids: ID and Structural Analysis

Characterization and Collision Cross Section Determination of Obesity Related Lipids Within Mouse Models Using Travelling Wave IMS-QTof Mass Spectrometry

Gertjan Kramer1 ; Nicholas Dekker1 ; Lee A Gethings 2 ; John P. Shockcor2 ; James I. Langridge2 ; Johannes P.C. Vissers2 ; Johannes M.F.G. Aerts1
1 Academic Medical Centre, University of Amsterdam, Amsterdam, Netherlands; 2 Waters Corporation, Manchester, United Kingdom

Poster 457 – Nanoscale and Microfluidic Separations and MS

Singulus Pulpitum: Microfluidics coupled with Mass Spectrometry for Multi-omics and Targeted Assays in Translational Research

Paul Rainville 1 ; James Murphy1 ; Giuseppe Astarita1 ; Ian Wilson2 ; James Langridge(1
1 Waters, Milford, MA; 2 Imperial College London, London, UK

Poster 482 – Instrumentation: New Concepts

A high pressure, three gas mass spectrometer

John Hoyes ; Keith Richardson
Waters, Manchester, UK

Poster 238 – Carbohydrates

Routine Monitoring of N-Glycans Using a Novel MS Enhancing Labeling Reagent with Quadrupole Mass Detection

Eoin F.J. Cosgrave2 ; Matthew Lauber1 ; Stephan M. Koza1 ; Robert Birdsall1 ; Scott Berger1 ; Sean M. Mccarthy 1
1 Waters Corporation, Milford, MA; 2 Seattle Genetics, Bothell, WA

Poster 463 – Nanoscale and Microfluidic Separations and MS

Improving the Detection of Thyroglobulin in Human Plasma by Combining SISCAPA Enrichment and Microflow LC/MS

Jay S. Johnson 1 ; Morteza Razavi2 ; Selena Larkin2 ; James Murphy1 ; Paul Rainville1
1 Waters Corporation, Milford, MA; 2 SISCAPA Assay Technologies, Washington, DC

Poster 126 – Small Molecules: Quantitative Analysis

Utilising Mixed Mode SPE for the LC-MS/MS Analysis of Steroid Hormones in Serum for Clinical Research

Dominic Foley 1 ; Brian Keevil2 ; Lisa Calton1
1 Waters Corporation, Wilmslow, England; 2 University Hospital of South Manchester, Wythenshawe, England

Poster 325 – Informatics Peptide ID and Quantification

Optimizing the Acquisition Landscape Utilizing a Hybrid DIA/SWATH/DDA Workflow

Brad Williams ; Steve Ciavarini; Scott Geromanos
Waters Corporation, Milford, MA

Poster 671 – Antibody and Antibody: Drug Conjugates II

Localizing the Conjugation Sites of Cysteine-Conjugated Antibody Drug Conjugates by Improved LC-MS Subunit Analysis for ADC Positional Isomer Identification

Henry Shion 1 ; Robert Birdsall1 ; Liuxi Chen1 ; Ying-Qing Yu1 ; Frank W. Kotch3 ; April Xu2 ; Thomas J. Porter4 ; Weibin Chen1
1 Waters Biopharmaceutical Business Operations, Milford, MA; 2 3Pfizer Analytical Research & Development, Pearl River, NY; 3 2Pfizer Bioprocess Research & Development, Pearl River, NY; 4 4Pfizer Analytical Research & Development,, Andover, MA

Poster 458 – Nanoscale and Microfluidic Separations and MS

Increasing Sensitivity and Minimizing Sample Volume for the Quantification of Therapeutic and Endogenous Cyclic Peptides using an integrated microfluidic device.

Erin E. Chambers; Mary Lame; Markus Wanninger
Waters Corporation, Milford, MA

Poster 465 – Nanoscale and Microfluidic Separations and MS

Transferring an analytical-scale LC method to an integrated microfluidic device for Quantification of Human Insulin and 5 Analogs in Plasma

Erin E. Chambers ; Mary Lame; Markus Wanninger
Waters Corporation, Milford, MA

Poster 280 – Biomarkers Discovery

High-definition qualitative and quantitative proteomics of a Parkinson’s disease zebrafish model

Joanne B. Connolly 1 ; Kari E. Fladmark2 ; Edward Burton3 ; Ann Kristin FrÃ,yset2
1 Waters, Manchester, United Kingdom; 2 University of Bergen, Bergen, Norway; 3 University of Pittsburgh, Pittsburgh, PA

Poster 267 – Lipids: ID and Structural Analysis

Characterization and Collision Cross Section Determination of Obesity Related Lipids Within Mouse Models Using Travelling Wave IMS-QTof Mass Spectrometry

Gertjan Kramer1 ; Nicholas Dekker1 ; Lee A Gethings 2 ; John P. Shockcor2 ; James I. Langridge2 ; Johannes P.C. Vissers2 ; Johannes M.F.G. Aerts1
1 Academic Medical Centre, University of Amsterdam, Amsterdam, Netherlands; 2 Waters Corporation, Manchester, United Kingdom

Poster 457 – Nanoscale and Microfluidic Separations and MS

Singulus Pulpitum: Microfluidics coupled with Mass Spectrometry for Multi-omics and Targeted Assays in Translational Research

Paul Rainville 1 ; James Murphy1 ; Giuseppe Astarita1 ; Ian Wilson2 ; James Langridge(1
1 Waters, Milford, MA; 2 Imperial College London, London, UK

Poster 482 – Instrumentation: New Concepts

A high pressure, three gas mass spectrometer

John Hoyes ; Keith Richardson
Waters, Manchester, UK

Poster 238 – Carbohydrates

Routine Monitoring of N-Glycans Using a Novel MS Enhancing Labeling Reagent with Quadrupole Mass Detection

Eoin F.J. Cosgrave2 ; Matthew Lauber1 ; Stephan M. Koza1 ; Robert Birdsall1 ; Scott Berger1 ; Sean M. Mccarthy 1
1 Waters Corporation, Milford, MA; 2 Seattle Genetics, Bothell, WA

Poster 463 – Nanoscale and Microfluidic Separations and MS

Improving the Detection of Thyroglobulin in Human Plasma by Combining SISCAPA Enrichment and Microflow LC/MS

Jay S. Johnson 1 ; Morteza Razavi2 ; Selena Larkin2 ; James Murphy1 ; Paul Rainville1
1 Waters Corporation, Milford, MA; 2 SISCAPA Assay Technologies, Washington, DC

Poster 126 – Small Molecules: Quantitative Analysis

Utilising Mixed Mode SPE for the LC-MS/MS Analysis of Steroid Hormones in Serum for Clinical Research

Dominic Foley 1 ; Brian Keevil2 ; Lisa Calton1
1 Waters Corporation, Wilmslow, England; 2 University Hospital of South Manchester, Wythenshawe, England

Poster 325 – Informatics Peptide ID and Quantification

Optimizing the Acquisition Landscape Utilizing a Hybrid DIA/SWATH/DDA Workflow

Brad Williams ; Steve Ciavarini; Scott Geromanos
Waters Corporation, Milford, MA

Poster 530 – Imaging MS Sample Preparation
Lipid profiling of formalin fixed tissues with DESI-MS imaging, eliminating the requirement for snap freezing?

Emrys A Jones 1 ; Jocelyn Tillner2 ; Mark Towers1 ; Emmanuelle Claude1 ; Zoltan Takats2 ; Jim Langridge1
1 Waters Corporation, Wilmslow, UK; 2 Imperial College London, London, UK

Poster 42 – Energy: Biofuel and Minor Fuel Components
Analysis of biodiesel contamination in jet fuel using supercritical fluid chromatography-electrospray ionisation mass spectrometry (SFC-ESI-MS)

Waraporn Ratsameepakai 1 ; Julie Herniman1 ; Tim Jenkins2 ; G John Langley1
1 University of Southampton, Southampton, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Poster 147 – Drug Metabolism: Quantitative Analysis
Ultra high sensitivity bioanalyis by improved ionization and 2D-microUHPLC applying chip technology

Arnaud Lubin1 ; Liesbeth Vereyken1 ; Ronald de Vries1 ; Willy Cools1 ; Steve Bajic2 ; Hilary Major2 ; Jill Lord2 ; Isabelle Francois3 ; Lieve Dillen1 ; Rob Vreeken1 ; Filip Cuyckens 1
1 Pharmacokin, Dynamics & Metabolism, Janssen R&D, Beerse, Belgium; 2 MS Technology Centre, Waters, Wilmslow, UK; 3 Waters, Saint-Quentin en Yvelines, France

Poster 251 – Lipids: Quantitative Analysis
Skyline Validation of Quantitative Measurements from High-Resolution LC-IMS-MS Lipidomics Profiling Experiments

J. Will Thompson 1 ; Laura Dubois1 ; Brian Pratt2 ; Michael J. Maccoss3 ; Giuseppe Astarita4 ; Brendan Maclean2 ; Arthur Moseley5
1 Duke University School of Medicine, Durham, NC; 2 University of Washington, Seattle, WA; 3 Univ of Washington, Seattle, WA; 4 Waters Corporation, Milford, MA; 5 Duke University School of Medicine, Durham, NC

Poster 439 – Ambient Ionization: Instrumentation
Cross-platform applicability of DESI-MSI – effect of ion source setups and MS analysers on performance and information recovery

Jocelyn Tillner 1 ; Emrys Jones1 ; Steve Pringle2 ; Tamas Karancsi3 ; James L Walsh4 ; Ian Gilmore5 ; Josephine Bunch5 ; Zoltan Takats1
1 Imperial College London, London, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom; 3 Waters Research Centre, Budapest, Hungary; 4 University of Liverpool, Liverpool, United Kingdom; 5 National Physical Laboratory, Teddington, United Kingdom

Poster 547 – Imaging MS: Method Development I
In situ assaying the activity of ammonia lyase mutants demonstrated by a bi-substrate model reaction with DESI IM MS Imaging

Cunyu Yan 1 ; Fabio Parmeggiani1 ; Jason Schmidberger1 ; Emrys Jones2 ; Emmanuelle Claude2 ; Nicholas J. Turner1 ; Sabine L. Flitsch1 ; Perdita Barran1
1 University of Manchester, Manchester, UK; 2 Waters MS Technologies Centre, Wilmslow, UK

Poster 642 – H/D Exchange: Protein Structure/Function I
Gas-phase hydrogen/deuterium exchange can be used to detect conformational differences in protein structure and distinguish between conformational families

Helen S Beeston 1 ; James R Ault1 ; Henry C Fisher1 ; Steven D Pringle2 ; Jeffrey M Brown2 ; Alison E Ashcroft1
1 University of Leeds, Leeds, UNITED KINGDOM; 2 Waters Corporation, Wilmslow, United Kingdom

Thursday, June 4

Orals

Main Session: Nano-Scale & Microfluidic Separations & MS

Room 120/127
9:50am – 10:10am
Development of High Sensitivity Intact Monoclonal Antibody (mAb) Analysis Using an Intergrated Microfluidics MS System
Gregory Roman ; Henry Shion; Weibin Chen; James Murphy
Waters Corporation, Milford, MA

Main Session: MS in Surgery

Hall 5
2:30pm – 2:50pm
Development of a System for the Investigation of Near Real-Time Tissue Identification Using Rapid Evaporative Ionization Time-of-Flight Mass Spectrometry.
Steven Pringle 1 ; Julia balog2 ; Emrys A Jones1 ; Tamas Karancsi2 ; Keith Richardson1 ; Mike Morris1
1 Waters Corporation, Wilmslow, United Kingdom; 2 Waters Research Center, Budapest, Hungary

Main Session: Ion Mobility: Small Molecules, Pharmaceuticals, and DMPK

Ballroom 220/221
9:30am – 9:50am
Comprehensive Screening and Characterisation of Metabolites and Biomolecules by Collisional Cross Section using a Novel Geometry Travelling-Wave IMS-QTof Mass Spectrometer
Richard Gallagher1 ; Christine Pattison1 ; Kathryn Pickup1 ; Nick Tomczyk2 ; Martin Palmer2 ; Jason Wildgoose2 ; Darren Hewitt2 ; Daniel Weston 2
1 Astrazeneca, Macclesfield, United Kingdom; 2 Waters, Wilmslow, United Kingdom

Main Session: New and Developing Ion Activation Methods

Room 123/124
9:50am – 10:10am
Interrogation of Protein Structure using Conformer Selection, UVPD, and ETnoD
Bruno Bellina1 ; Jeff Brown2 ; Jakub Ujma1 ; Kevin Giles2 ; Paul Murray2 ; Rebecca Beveridge1 ; Eleanor Dickinson1 ; Jonathan P. Williams2 ; Mike Morris2 ; Perdita Barran 1
1 The University of Manchester, Manchester, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Main Session: Synthetic Polymers

Theater
2:30pm – 2:50pm
Characterization of atmospheric pressure polyolefin pyrolysis products by Fourier transform mass spectrometry and ion mobility – mass spectrometry
Carlos Afonso 1 ; Mathilde Farenc(1, 2) ; Matthias Witt3 ; Kirsten Craven4 ; Caroline Barrère-Mangote2 ; Pierre Giusti2
1 University of Rouen, Mont Saint Aignan, France; 2 TOTAL Refining and Chemicals, Gonfreville l’Orcher, France; 3 Bruker Daltonik GmbH, Bremen, Germany; 4 Waters, Manchester, UK

Posters

Poster 123 – Environmental Analysis: General
Travelling Wave Ion Mobility Enhanced Separation of Poly-Halogenated Dioxins and Furans in Controlled Burn Samples

Kari Organtini 1 ; Lauren Mullin(2, 3) ; Adam Ladak3
1 The Pennsylvania State University, State College, PA; 2 MTM Research Centre Ã-rebro University, Ã-rebro , Sweden; 3 Waters Corporation, Milford, MA

Poster 300 – Challenges in Identification
A rapid screening method to identify chemical components of a traditional herb using novel Informatics UNIFI Platform

Li Min1 ; Dai Yi 1 ; Lirui Qiao2 ; Jimmy Yuk3 ; Giorgis Isaac3 ; Kate Yu3
1 Jin an University, Guangzhou, China; 2 Waters Corporation, Shanghai, China; 3 Waters Corporation, Milford, MA

Poster 601 – Protein Therapeutics: Quantitative Analysis
Adding Cost Effective Mass Detection as an Orthogonal Technique for Improved Productivity and Confidence in the Analysis of Protein Biotherapeutics

Robert Birdsall; Sean McCarthy; Joe Fredette; Scott Berger ; Weibin Chen
Waters Corporation, Milford, MA

Poster 607 – Protein Therapeutics: Quantitative Analysis
Identification and Quantification of Host Cell Protein Impurities in High-Purity
Monoclonal Antibodies Down to 1 ppm: An Inter-Laboratory Study

Catalin Doneanu 1 ; Malcolm Anderson3 ; Brad Williams2 ; Matthew Lauber1 ; Asish Chakraborty1 ; Markus Wanninger1 ; Patricia Young1 ; Weibin Chen1
1 Waters Corporation, Milford, MA; 2 Waters Corporation, Beverly, MA; 3 Waters Corporation, Manchester, UK

Poster 292 – Biomarkers: Quantitative Analysis (evaluation/development, improvement of methods and techniques)
Systematic Comparison of Integrated Microfluidics/Nanoscale LC Platforms and High/Low Resolution Mass Spectrometers for Quantitative MRM Analysis of Candidate Peptide Biomarkers

Chris Hughes; Billy Joe Molloy ; Johannes PC Vissers; James I Langridge
Waters Corporation, Manchester, United Kingdom

Poster 62 – Polymers
Ion Mobility-Mass Spectrometry: A Novel Approach to Screening for Extractable and Leachable Components from Packaging Material

Baiba Cabovska 1 ; Eleanor Riches2 ; Cristina Nerin3 ; Margarita Aznar3 ; Pilar Alfaro3
1 Waters Corporation, Milford, MA; 2 Waters Corporation, Wilmslow, United Kingdom; 3 CPS-University of Zaragoza, Zaragoza, Spain

Poster 287 – Biomarkers: Quantitative Analysis (evaluation/development,improvement of metods and techniques)
A multi-site mass spectrometric investigation into the reproducibility, sensitivity and specificity of multiplex SISCAPA assays

Selena S Larkin 1 ; Morteza Razavi1 ; Terry Pearson(1, 4) ; Donald Cooper2 ; Erin E. Chambers3 ; Paul Rainville3 ; Lee A Gethings2 ; Jim Langridge2 ; N. Leigh Anderson1
1 SISCAPA Assay Technologies, Washington, DC; 2 Waters Corporation, Wilmslow, United Kingdom; 3 Waters Corporation, Milford, MA; 4 Dept of Biochem. & Microbiology, Univ of Victoria, Victoria, BC, Canada

Poster 646 – Ion Mobility: Small Molecule and Metabolomics
Demonstration of Collisional Cross Section Value Conservation Across LC and GC Analyses

Lauren Mullin (1, 2) ; Gareth Cleland2 ; Mike McCullagh3 ; Ingrid Ericson Jogsten1
1 MTM Research Centre Ã-rebro University, Ã-rebro, Sweden; 2 Waters Corporation, Milford, MA; 3 Waters Corporation, Wilmslow, UK

Poster 451 – Informatics: Protein ID and Quantification
Large Scale Quantitation of Stable Isotope Labelled Proteomes Using Retention and Drift Time Profiling

Andrew Collins1 ; Antony McCabe1 ; Ian Morns3 ; Johannes PC Vissers 2 ; Andrew R Jones1
1 Institute of Integrative Biology, University of Liverpool, UK; 2 Waters Corporation, Manchester, UK; 3 Nonlinear Dynamics Limited, Newcastle upon Tyne, UK

Poster 636 – Ion Mobility: Complex Mixtures
A Novel Strategy to Screen and Profile Steviol Glycosides of Natural Sweeteners in Food Using Microfluidic UPLC Ion Mobility

Ramesh P Rao 1 ; Michael McCullagh1 ; David Douce1 ; Séverine Goscinny2
1 Waters Corporation, Manchester, United Kingdom; 2 Scientific Institute of Public Health, Brussels, Belgium

Poster 418 – LC-MS: General
High Throughput Regulatory Analysis of Phthalates and Parabens in Cosmetics and Personal Care Products, using UPLC with Mass Detection

Jane Cooper ; Oliver Burt
Waters Corporation, Wilmslow, United Kingdom

Poster 588 – Proteomics: Quantitative – Chemical Labeling Methods
TMT 10-plex Quantitation by Travelling Wave IMS-QTof Mass Spectrometry

Dominic Helm2 ; Chris Hughes 1 ; Jason L Wildgoose1 ; Keith Richardson1 ; Nick Tomczyk1 ; James I Langridge1 ; Johannes PC Vissers1 ; Bernhard Kuster2
1 Waters Corporation, Manchester, UK; 2 Technische Universität München, Freising, GERMANY

Poster 346 – Peptides: Quantitative Analysis II
Development of a High Sensitivity SPE-LC-MS/MS Assay for the Quantification of Glucagon in Human Plasma using an integrated microfluidic device

Erin E. Chambers; Mary Lame ; Markus Wanninger
Waters Corporation, Milford, MA

Poster 367 – Peptides: Sequence Analysis
Identifying Sequence Variants by an Integrated Mass Spectrometric and Informatics Workflow

Stephane Houel1 ; Barry Dyson2 ; Rose Lawler1 ; Weibin Chen 1
1 Waters Corp, Milford, MA; 2 Waters corp., Wimslow, UK

Poster 634 – Ion Mobility: Complex Mixtures
Using the Routine Separation Dimension and Identification Criteria of Microfluidic UPLC Ion Mobility to Enhance Specificity in Screening Complex Samples.

Michael Mccullagh1 ; C.A.M Pereira2 ; J.H Yariwake2 ; David Douce 1
1 Waters (MS Technologies), Wilmslow, United Kingdom; 2 Universidade de Sao Paulo, Sao Paulo, Brazil

Poster 649 – Ion Mobility: Small Molecule and Metabolomics
The analysis of Bile Acids: Enhancement of specificity using an Ion Mobility-TOFMS based approach

Jonathan P. Williams 1 ; Jonas Abdel-Khalik2 ; Yuqin Wang2 ; Sarah M. Stow3 ; Mark Towers1 ; Giuseppe Astarita1 ; James Langridge1 ; William J. Griffiths2
1 Waters, Manchester, United Kingdom; 2 College of Medicine, Swansea, UK; 3 Vanderbilt University, Nashville, TN, USA, Nashville, TN

Poster 208 – Toxicology
A Novel Screening Approach for the Detection of Toxicologically Relevant Substances

Nayan S. Mistry; Jeff Goshawk; Michelle Wood
Waters, Wilmslow, United Kingdom

Poster 631 – Ion Mobility: Complex Mixtures
Microfluidic UPLC Ion Mobility: A New Approach to Authentication and Routine Screening of Ginsenoside Isomers in Functional Food Products.

Michael Mccullagh ; John Chipperfield; Ramesh P Rao; David Douce
Waters, Manchester, United Kingdom

Poster 164 – Forensics
Femtogram Detection of 11-nor-9 carboxy-THC in Methanolic Solutions Using an Integrated Microfluidics MS System.

Rob Lee 1 ; Gregory Roman2 ; Jim Murphy2 ; Michelle Wood1
1 Waters Corporation, Wilmslow, UK; 2 Waters Corporation, Milford, USA

Poster 172 – Forensics
High Sensitivity Analysis of Opioids in Oral Fluid Using Integrated

Gregory Roman1 ; Robert Lee2 ; James Murphy1 ; Michelle Wood2 ; Jeff Goshawk 3
1 Waters Corporation, Milford, MA; 2 Waters Corporation, Wilmslow, UK; 3 Waters, Manchester, N/A

Poster 9 – Ambient Ionization: Fundamentals
Collision surfaces and ambient ionization mechanisms; studies leading to the improvement of signal intensities in rapid evaporative ionization mass spectrometry

Emrys A Jones1 ; Ottmar Golf 1 ; Steven Pringle2 ; Tamas Karancsi3 ; Zoltan Takats1
1 Imperial College London, London, UK; 2 Waters Corporation, Manchester, United Kingdom; 3 Waters Research Center, Budapest, Hungary

Poster 14 – Ambient Ionization: Fundamentals
Generation of multiply charged ions using a liquid AP MALDI ion source without heated ion transfer tube

Pavel Ryumin 1 ; Jeff Brown(1, 2) ; Rainer Cramer1
1 University of Reading, Reading, United Kingdom; 2 Waters Corporation, Wilmslow, United Kingdom

Poster 263 – Small Molecules: Qualitative Analysis
Supercharging small organic molecules for electron-transfer dissociation

Andrew T. Ball 1 ; Anthony W. T. Bristow3 ; Martin Sims3 ; Michael Morris2 ; Jackie Mosely1
1 Durham University, Durham, UK; 2 Waters Corporation, Manchester, UK; 3 AstraZeneca, Macclesfield, UK

Poster 596 – Protein Therapeutics: Quantitative Analysis
Enhanced detection of host-cell proteins in biotherapeutic preparations using preparative electrophoresis followed by LC – Ion Mobility – MS

Chris Boles 1 ; Brad J. Williams2 ; Bryan Spencer1 ; Danny Yun1 ; Sadaf Hoda1
1 Sage Science, Inc., Beverly, MA; 2 Waters Corporation, Beverly, MA

Poster 633 – Ion Mobility: Complex Mixtures
Baby Elephants Can Surf: Using the Selectivity of Ion Mobility When Screening Multi-class Pesticides in Fruit and Vegetables

Severine Goscinny 1 ; Michael McCullagh2
1 Scientific Institute of Public Health, Brussels, Belgium; 2 Waters, Manchester, United Kingdom

Poster 642- Ion Mobility: Small Molecule and Metabolomics
The importance of charge isomers in quantitation; ion mobility mass spectrometry of fluoroquinolone antibiotics

Cris Lapthorn 1 ; Mike McCullagh2 ; Sara Stead2 ; Martin Palmer2 ; Kevin Giles2 ; Keith Richardson2 ; Jasper Boschmans3 ; Frank Sobott3 ; Frank Pullen1 ; Babur Chowdhry1 ; George Perkins4
1 University of Greenwich, Chatham Maritime, UK; 2 Waters Corp, Manchester, UK; 3 University of Antwerp, Antwerp, Belgium; 4 149 Hickory Corner Road, Milford, NJ

Poster 647 – Ion Mobility: Small Molecule and Metabolomics
Ion mobility data in metabolite identification: a Mass-MetaSite approach

Ismael Zamora1 ; Kevin Bateman3 ; Fabien Fontaine 4 ; Russell Mortishire2 ; Ian McIntosh3
1 Lead Molecular Design, S.L., Sant Cugat Del Valles, SPAIN; 2 Waters Corp, Milford, MS; 3 Merck, West Point, PN; 4 Molecular Discovery, London, UK

Poster 648 – Ion Mobility: Small Molecule and Metabolomics
Multidimensional analytical approaches: combining ion mobility and spectrophotometric detection with current MS-based metabolomics and lipidomics workflows

Giuseppe Paglia 1 ; Tommaso Pacini2 ; Steinn Gudmundsson2 ; A Eugenio Chiaravalle1 ; Sigurdur Brynjolfsson2 ; Bernard O Palsson2 ; Giuseppe Astarita3
1 IZS Puglia e Basilicata, Foggia, Italy; 2 Center For Systems Biology, Reykjavik, Iceland; 3 Waters Corporation, Milford, MA

Poster 341 – Peptides: Quantitative Analysis II
Evaluation and Optimization of Waters IonKey/MS System for High-Throughput and High Sensitivity Quantitative Analysis for Insulin Analogues in Biological Matrices

Hsuan-Shen Chen 1 ; Bernard Choi1 ; Yang Xu2 ; Dina Goykhman2 ; Lucinda Cohen1
1 Merck Research Laboratories, Rahway, NJ; 2 Merck Research Laboratories, West Point, PA


Meeting Dates:
May 30 – June 4, 2015

America’s Center Convention Complex
701 Convention Plaza
St. Louis, MO 63101