Users Meeting2018-06-20T15:47:20+00:00

ASMS 2018

San Diego, California
June 3 – 7

Thank you for joining us on Saturday, June 2nd for our ASMS MS Users’ Meeting.

Parallel Sessions:

1- Biopharmaceutical: Advancing Biotherapeutic Mass Spectrometry with More Challenging Molecules, and in to Expanding Roles within Regulatory Compliant Organizations

2- Chemical Materials: Innovations in Materials Characterization

3- Food & Environmental: The Pursuit for Safe Food and a Clean Environment

4- Biomedical Research: Towards a More Comprehensive Understanding of Human Health and Disease using Advanced Mass Spectrometry Technologies

5- Pharmaceutical: Peptides and Proteins: Using LC-MS Technologies to Tackle Big Challenges in Quantification and Metabolism Across Drug Discovery and Development

View Presentations

General Morning Session

9:00 AM – 9:30 AM

Registration & Coffee

9:30 AM – 10:00 AM

What’s New from Waters

Mike Wilson, Ph.D
Director, Mass Spectrometry Systems Marketing

10:00 AM – 10:45 AM

Key Note Presentation

Secrets of the Ringed Planet: Space Mass Spectrometry in the Saturn System

Hunter Waite, Ph.DHunter Waite, Ph.D.
Principal Investigator for the MASPEX Europa investigation
Southwest Research Institute

Hunter was born in 1953 in Huntsville, Alabama at the start of the space race. He graduated with a BS in Physics and Chemistry from the University of Alabama in 1976 and obtained a Ph.D in Space Science from the University of Michigan in 1981. He held the role of Space Scientist at NASA Marshall Space Flight Center for seven years before moving on to various science and management roles at Southwest Research Institute (SwRI) from 1988 to 2000. Following his time as Full Professor at the University of Michigan in Space Science from 2000 to 2006 he returned to SwRI where he now holds the position of Program Director for Space Mass Spectrometry.

His past and ongoing projects include:

  • Principal investigator for the Cassini Ion Neutral Mass Spectrometer 1992 to the present
  • Science co-investigator for the
    • Dynamics Explorer (1981-1988)
    • Rosetta (1995-present)
    • Juno (2016-present) space missions
  • Principal Investigator for the Europa Clipper Mass Spectrometer for Planetary Exploration (MASPEX-Europa) now in development (launch 2023)

The talk will introduce the primary constraints on space mass spectrometry for planetary missions. The exciting mass spectrometry findings during the Cassini-Huygens mission for the moons Titan and Enceladus will be presented, as well as the latest results from the final phase of the Cassini Grand Finale. During this final mission phase mass spectrometry was used to study the chemical interaction of ring material with Saturn’s atmosphere as the spacecraft flew between Saturn and its rings. Emphasis will be placed on the search for Life in the Oceans of Enceladus. The science findings of the Cassini-Huygens mission will be analyzed in the context of lessons learned and what that may imply for the future of space mass spectrometry. Suggestions of how the future might be positively affected by work with Earth-based mass spectrometry technologies will be explored. Finally, future mission opportunities will be briefly discussed.

10:45 AM – 11:00 AM


11:00 AM – 11:45 AM

Key Note Presentation

Integrated Chemical and Biological Profiling in Natural Products Discovery

Roger Linington, Ph.DRoger Linington, Ph.D
Associate Professor and Canada Research Chair in High-Throughput
Screening and Chemical Biology
Department of Chemistry, Simon Fraser University

Professor Linington received his B.Sc. in Chemistry from the University of Leeds in the UK, his Ph.D. from the University of British Columbia in Vancouver Canada under the supervision of Prof. Raymond Andersen, and postdoctoral work with Prof. William Gerwick at the Scripps Institution of Oceanography at UCSD where he was a participating member of the Panama ICBG project. During this time he lived and worked in Panama City, Panama, running a semi-independent marine natural products drug discovery program. From 2007 to 2015 he was a faculty member at the University of California Santa Cruz in the Department of Chemistry and Biochemistry. Since 2015 he has been an Associate Professor of Chemistry at Simon Fraser University in Vancouver, Canada where he is also a Tier II Canada Research Chair in High-Throughput Screening and Chemical Biology. He is the recipient of several awards, including the 2014 American Society of Pharmacognosy Matt Suffness Young Investigator award. He has published 68 manuscripts, and his research program focuses on designing new screening and analytical methods for natural products discovery.

Natural products possess high value as inspirations for the development of new therapeutics. However, discovery programs are increasingly hampered by high rates of rediscovery in both the biological and chemical arenas. Although the natural world contains an impressive array of unique chemotypes, prioritizing these compounds from within the complex assemblages present in natural products extracts is a significant and substantive challenge. Using UPLC ion mobility qTOF analysis, our laboratory has been developing untargeted metabolomics methods to characterize the full chemical constitutions of large natural products libraries.

To relate these profiles to biological assay data, we are creating new informatics methods to combine chemical distributions and biological activities. Using information rich biological assays (such as image-based cytological profiling) it is possible to reveal a detailed picture of the biological attributes of all members of a large library of natural product compounds. These networks allow researchers to prioritize compounds by biological target, to explore the biological behavior of specific compound classes, or to discover classes of compounds with fundamentally unique biological attributes. This lecture will present the details for these new methods, and highlight examples of applications of this new technology.

11:45 PM – 11:50 AM

General Session Recap

11:50 AM – 1:00 PM


1:00 PM – 3:25 PM

Breakout Tracks

Parallel Session Options

Biopharmaceutical: Advancing Biotherapeutic Mass Spectrometry with More Challenging Molecules, and in to Expanding Roles within Regulatory Compliant Organizations

Mass spectrometry continues to expand its roles and footprint within biopharmaceutical organizations as both fundamental capabilities and accessibility for non-expert users has grown in tandem.
The biopharmaceutical track at this year’s Waters ASMS User’s Meeting will address both dynamics through four talks by Waters and biopharmaceutical industry speakers.

1:00 PM – 1:30 PM

Employment of denaturing UPLC-MS and native-MS to expand membrane protein characterization in a biopharmaceutical setting

Jennifer L. Lippens Ph.D
Postdoctoral Fellow
Amgen Inc.

Approximately 50% of therapeutic targets are membrane proteins, making their characterization essential for superior drug design. Techniques such as surface plasmon resonance, isothermal titration calorimetry and analytical ultracentrifugation, among several others, are traditionally utilized in biopharma to characterize binding activity, quantify transmembrane helices’ association and molecular size. Mass spectrometric analysis can greatly enhance our ability to characterize these challenging proteins. Exploration of denaturing UPLC-MS conditions has yielded a high throughput UPLC-MS method to enable accurate mass characterization of membrane proteins ranging in size from 18 to 70 kDa, in a high throughput manner. These mass measurements allow for characterization of proteolytically degraded constructs, sequence variations and post-translation modifications that may affect protein stability, binding activity and/or stoichiometry.

1:35 PM – 2:05 PM

ACQUITY QDa Capabilities for Protein Therapeutic Characterization

Monica Sadek
Research Associate

Peptide mapping with high resolution mass spectrometry (MS) is often the method of choice for the characterization of therapeutic products due to its superior selectivity, sensitivity, dynamic range, and accurate mass. However, the need for constant maintenance and user expertise which often accompanies high resolution instrumentation hinders its implementation in a quality control environment. The recent introduction of the Waters ACQUITY QDa® shows promise that a single-quadrupole mass detector can provide sufficient monitoring and quantitative information on known protein product quality attributes (PQAs). Thus, the QDa was assessed for its utility in the routine monitoring of known PQAs and compared to high-resolution MS.

2:05 PM – 2:20 PM


2:20 PM – 2:50 PM

Automation of RapiFluor-MS workflow for released N-glycan analysis using the Andrew Alliance Robotic Platform…and beyond?

Dr. Philip Widdowson
Senior Scientist
Allergan Biologics

RapiFluor-MS became a game changer in the field of released N-glycan analysis and quickly became our gold-standard method for N-glycan profiling. We are constantly evolving and, with there being a great push towards high-throughput and/or automated technologies, as analytical scientists, it is our duty to keep up with the demand placed upon us by our Process Development colleagues. The Andrew Alliance Robotic Platform is an effective step in that direction and, due to a strong relationship between Andrew Alliance and Waters, the RapiFluor-MS workflow has been optimised on this platform. I am going to talk about the platform, our experience in the automation of RapiFluor-MS using the Andrew Alliance Robot and discuss other applications that we have explored to attempt to automate other aspects of our physicochemical characterisation activities.

2:55 PM – 3:25 PM

Pushing the edge…with all deliberate speed

Joe Fredette
Senior Business Development Manager
Waters Corporation

Efforts to expand the role of mass spectrometry beyond the characterization exercise have generated both excitement and concern of the appropriateness of today’s LCMS technologies for regulated labs, particularly when proposed for QC/lot release assays. During this talk, we will discuss where targeted innovation has taken us so far and preview new technological developments that take us closer to the goal of truly routine attribute based LCMS analyses.

3:30 PM – 5:00 PM


Chemical Materials: Innovations in Materials Characterization

The chemical industry is changing. Value is increasingly being derived from the ability to develop and deliver products that help serve key societal needs through innovative materials science and engineering. To achieve this, the industry is critically dependent upon measurement science.

In this session you will gain insights from scientists who use mass spectrometric techniques including imaging, ion mobility, HRMS and progressive informatics to advance materials science. Through determining the chemical composition of these materials their consequent impact on everyday human life can be understood. Whether this be in the field of energy, transportation, sustainable construction materials, packaging or bio-materials the world of materials science is evolving; enabled by analytical science.

1:00 PM – 1:30 PM

Gas Phase Alchemy: Detection and imaging of classic metals, such as gold, copper arsenic, and lead, by Laser ablation mass spectrometry on a Synapt G2-HDMS

Professor Athula Attygalle
Faculty Member, Department of Chemistry and Chemical Biology
Stevens Institute of Technology

Laser desorption was introduced as an ionization technique for mass spectrometry in the 1960s. Although pioneering work of Hillenkamp’s group with the laser microprobe mass analyzer (LAMMA) was primarily on inorganic ions in biological samples, current MALDI-MS overwhelmingly targets only organic ions. However, recent studies conduct on a SYNAPT-G2 MALDI-ToF mass spectrometer demonstrates that LDI techniques deserve more recognition in inorganic mass spectrometry. In fact, LDI-MS is a powerful technique for detecting and mapping the distribution of metals such as lead, arsenic, gold, and antimony and their compounds on the surfaces of mineral rocks. A latent trace obtained by placing a piece of paper on the rock and rubbing on it is all the sample preparation that it needed. For example, arsenic distribution in the mineral domeykite was mapped and visualized as false-color images by this method. During this session, results from many other LDI-mapping studies will be presented.

1:35 PM – 2:05 PM

Polymers for Travelling Wave Ion Mobility Spectrometry Calibration: Why? How? What?

Julien De Winter, Ph.D
Organic Synthesis and Mass Spectrometry Laboratory (S²MOs)
University of Mons (UMONS), Belgium

One of the main issues when using Travelling Wave Ion Mobility Spectrometry (TWIMS) for the determination of Collisional Cross Section (CCS) concerns the need for a robust calibration procedure built from reference ions of known CCS. Here, we implement synthetic polymer ions as CCS calibrants in positive ion mode. Based on their intrinsic dispersities, polymers offer in a single sample the opportunity to generate, upon Electrospray Ionization, numerous ions covering a broad mass range and a large CCS window for different charge states. In addition, the key advantage of polymer ions as CCS calibrants lies in the robustness of their gas phase structure with respect to the instrumental conditions, making them less prone to collisional-induced unfolding (CIU) than protein ions, as proven by a detailed analysis of the arrival time distribution of the polymer ions. I will take advantage of the presentation to introduce this new CCS calibration procedure using sodium cationized polylactide and polyethylene. After validation and in order to demonstrate the efficiency of this new calibrant, some examples, in the material science field, will be discussed.

2:05 PM – 2:20 PM


2:20 PM – 2:50 PM

Applications of Modern UHPSFC-MS to the Chemistry of  Archaeology

Professor John Langley
Head of Characterisation and Analytics in Chemistry
University of Southampton, UK

Julie Herniman
Senior Experimental Officer in Mass Spectrometry
University of Southampton, UK

Modern UHPSFC-MS now delivers on the chromatographic promises with robust and reliable instrument platforms.  The solvation power, selectivity and peak capacity of modern instrumentations provides the platform to address classes of compounds that were previously a challenge for GC-MS and RP-UHPLC-MS.

UPC2 was incorporated into the Chemistry open access (walk-up and use) chromatography mass spectrometry facility at the University of Southampton in 2013.  UHPSFC-MS sits between LC-MS and GC-MS, affording extended capability and complementarity across a broad range of application areas, e.g. synthetic organics, pharmaceuticals, petrochemistry, lipids, nucleotides etc.

One specific area of interest is the analysis of archaelogical lipids, particularly attempting to link ancient diet to residues in archaeological hearths and pots.  UHPSFC-MS methods have been developed to (i) simultaneously analyse acylglycerides, free fatty acids and FAMES, and (ii) analyse sterols. Unlike previous work in this area these assays require minimal sample handling and preparation, and no sample derivatisation.

2:55 PM – 3:25 PM

Problem Solving for Diverse Types of Chemical Materials Using High-Resolution Accurate Mass LCMS

Eric Mertz, Ph.D
Senior Scientist
Polymer Solutions Incorporated, USA

Polymer Solutions Incorporated (PSI) serves customers across several industries including medical devices, pharmaceuticals, consumer products, and manufacturing. Our focus is on solving problems related to the testing of polymers and other types of materials. High-resolution accurate-mass LCMS was recently introduced into our testing portfolio, giving scientists at PSI the opportunity to develop new methods for the characterization of chemical materials.

High-resolution accurate-mass LCMS methods have been applied towards the analysis of a diverse array of sample types. Examples of problems solved and continuing challenges will be presented through a series of case studies. Several case studies involve the high-resolution accurate mass analysis of oligomeric species which commonly appear in customer samples. Because they are outside of the typical LCMS workflows for small molecules and proteins/peptides, oligomeric species present a particular challenge. Qualitative and quantitative approaches towards the analysis of oligomeric species will be discussed. Different methods for the identification of oligomeric compounds have been employed, and a process for bringing oligomeric compounds into a small molecule LCMS screening workflow was developed.

3:30 PM – 5:00 PM


Food & Environmental: The Pursuit for Safe Food and a Clean Environment

Analytical scientists work tirelessly to contribute to maintaining a sustainable and safe food chain as well as a cleaner environment in order to protect humans and wildlife from biological and chemical risks. Food and the environment are intrinsically linked.  When we look at what we eat and how we grow it we find extensive evidence for damage both to our food (from pollution and soil depletion) and to our environment (from the toxicity of growing foods industrially). In this session you will gain insights from scientists using mass spectrometry to understand the various elements of this complex chain, from environmental exposure (Exposomics) through safe authentic foods.

1:00 PM – 1:30 PM

(Non)targeted analysis of the exposome using atmospheric pressure gas chromatography-quadrupole time-of-flight mass spectrometry

Karl J. Jobst, Ph.D
Adjunct Assistant Professor, Department of Chemistry and Chemical Biology
McMaster University

The exposome represents all environmental exposures during the course of a lifetime [1]. Persistent organic pollutants (POPs) are an important class of environmental toxicants that exhibit common characteristics, such as persistence, toxicity and a tendency to (bio)accumulate in wildlife and humans. This contribution reports on a sensitive, quantitative and high-throughput method for the analysis of a signature list of legacy and emerging halogenated POPs in 200µL of serum. The method employs stir-bar sorptive extraction (SBSE) [2], which enables preparation of >20 samples in four hours. Detection is achieved using thermal desorption gas chromatography (GC) coupled to a quadrupole time-of-flight mass spectrometer (qTOF-MS). Experiments performed with standard reference materials (SRM 1957, non-fortified serum) showed good agreement with certified values, albeit method detection limits are constrained by background levels. The full scan data acquired using the qTOF represents a trove of data that can be retrospectively searched for as yet unidentified toxicants. A semi-automated approach will be described that highlights unknown POPs on the basis of their position in compositional space, as defined by accurate mass and isotope ratio measurements.

1:35 PM – 2:05 PM

Enhancing Monitoring Neonicotinoid Insecticide Exposure by Honey Bees: Analysis of Hive Matrices Using LC-MS/MS

Tom Thompson, Ph.D
Scientist, Residue Chemistry
Alberta Agriculture and Forestry
Agri-Food Laboratories

Neonicotinoid insecticides have been the subject of intense scrutiny regarding their potential impact on honey bee health. There is an ongoing need to obtain information regarding the levels of exposure occurring for honey bees in actual operating apiaries. The presentation will include information regarding analytical methods developed for the determination of neonicotinoid insecticide residues in hive matrices including honey bee-collected pollen, bee bread, and beeswax. These methods were applied to the analysis of pollen and beeswax samples collected from apiaries located throughout Alberta and bee bread samples collected from apiaries across Canada. Two neonicotinoid insecticides, clothianidin and thiamethoxam, were predominantly detected in pollen and bee bread samples at concentrations ranging from 0.1 to 4.4 ng/g. By comparison, neonicotinoids were infrequently detected in beeswax samples and only at very low concentrations.

2:05 PM – 2:20 PM


2:20 PM – 2:50 PM

Ambient Ionization for direct food analysis by (trans)portable Mass Spectrometry

Arjen Gerssen
Research Scientist
RIKILT Wageningen University & Research

In the future detection of residues and contaminants in food will, next to the laboratory, also be performed on-site at the farm, in industry and retail or even by consumers at home. This type of analysis requires different equipment than the high-tech facilities operated by skilled technicians in our laboratories. For example, for mass spectrometry (MS) we will need (trans)portable MS, elimination of sample clean-up, simplified sample introduction and data evaluation. Sample introduction can in theory be replaced by one of the (currently seventy) described Ambient Ionization MS (AIMS) techniques. We have critically investigated some of these techniques for their applicability towards food safety applications. All techniques have their pros and cons. In general, detection limits will be much higher when compared to the conventional MS facilities. However, for some applications the ambient ionization with (trans)portable mass spectrometry can work for already direct analysis of food products.

2:55 PM – 3:25 PM

The use of GC-MS/MS technologies for the determination of pesticides and other contaminants in food

Simon Hird
Principal Scientist, Food & Environmental
Waters Corporation

The monitoring of food crops for pesticide residues for regulatory compliance requires analytical techniques that are sensitive, accurate, and robust. One of the most common techniques used for monitoring is LC-MS/MS but there is also a need for GC-MS as a number of pesticides are non-polar and/or volatile and more suited to gas chromatography.   In the last ten years, the market has seen a significant growth in the development of GC-MS/MS based upon conventional EI and those with ionisation at atmospheric pressure.  The analysis of extracts of food commodities by GC-MS/MS can be impacted by the presences of co-extracted substances, which can lead to contamination of the GC liner and column, resulting in matrix effects, deterioration of chromatographic performance as well as isobaric interferences.  To avoid these complications, additional sample clean-up steps are often advisable but need to be cost-effective.

The relative performance of the different approaches for the determination of pesticide residues in QuEChERS extracts using, additional cleanup options, will be discussed.

3:30 PM – 5:00 PM


Biomedical Research: Towards a More Comprehensive Understanding of Human Health and Disease using Advanced Mass Spectrometry Technologies

With increasing global rates of human diseases such as cancer and diabetes, understanding the mechanisms of these diseases, particularly from a genetic to molecular level, is of critical importance.  This is a challenging endeavor, due to the enormous complexities of living systems and the requirement to generate and correlate the vast quantity of data required to capture biological variability. Fortunately, the advancements in analytical technologies such as mass spectrometry provide researchers a deeper and more robust view into the intricacies of biology and of disease pathophysiology.  In this session, four experts in the field of biomedical research will share their innovative approaches using mass spectrometry to study the human phenome and their connection to disease, drug therapies, and treatments.

1:00 PM – 1:30 PM

Targeted UPLC-MS metabolic profiling approaches in human disease phenotyping

Dr. Elizabeth Want
Senior Lecturer in Molecular Spectroscopy in the Department of Surgery and Cancer
and Director of The Imperial International Phenome Training Centre (IIPTC)
Imperial College

Over the past decade, ultra performance liquid chromatography coupled to mass spectrometry (UPLC-MS) has become increasingly prevalent in the field of metabolic phenotyping. Applications to date have included toxicological, clinical, and epidemiological investigations, improving our understanding of drug metabolism and toxicity, as well as disease diagnosis and prognosis. Advantages of UPLC over conventional HPLC, including increased speed and chromatographic resolution, have resulted in higher sample throughput and deeper metabolome coverage. This makes it an ideal analytical platform for large-scale epidemiological studies, as well as for in depth interrogation of individual biological sample types.

A key part of the metabolic phenotyping pipeline, targeted UPLC-MS assays are crucial for quantitation of important metabolites as well as biomarker validation. Targeted assays may focus on a particular class of metabolites, or perhaps a specific biological pathway. In this talk, targeted UPLC-MS based assays will be introduced, and their place and importance within the typical metabolic phenotyping analytical workflow will be discussed. Examples of successful applications of targeted assays in disease diagnosis will be described, illustrating advances in biomarker discovery and improvements in our understanding of human health and disease. Crucially, the importance of quality control measures in these assays will be covered. Finally, the future of this exciting and ever growing area of research will be discussed.

1:35 PM – 2:05 PM

Integrating a mass spec lab for multi-omic characterization of biomarkers and drug targets

Dr. Thomas Roddy
Sr. Director of Metabolism
Agios Pharmaceuticals

With advances in technologies for drug discovery, the investigation of biological mechanisms using new in vitro and in vivo models has become more precise and in depth than ever.  Mass spectrometry (MS) is an indispensable tool which can help collaborators in a multi-disciplinary R&D environment solve challenging scientific problems.  Large data sets from genomics, proteomics, metabolomics, and flux techniques, while offering deep coverage of the molecular composition of the system, require the development of novel informatics tools to offer insights to the disease of interest or activity of a potential therapeutic.  In this presentation, I will discuss our multidisciplinary MS lab (metabolomics, lipidomics, proteomics, fluxomics) and a few data systems that help us to efficiently extract value from MS-based studies.  I will also present examples of these studies including the discovery of a novel metabolite from macrophages and a putative cancer target.  In addition, I will discuss a few challenges that the tumor microenvironment poses in cancer research, like tissue heterogeneity, and ways that MS can help us to address these issues.

2:05 PM – 2:20 PM


2:20 PM – 2:50 PM

The Cancer Research UK Grand Challenge: Molecular mapping of tumours by multi-scale mass spectrometry imaging

Dr. Josephine Bunch
Principal Scientist and Co-Director of the National Centre of Excellence in Mass Spectrometry Imaging (NiCE-MSI) at NPL
National Physical Laboratory (NPL)

Mass spectrometry (MS) is one of the most powerful techniques for chemical analysis and when used as an imaging method allows molecular chemistry to be visualised in 2D and 3D, from the nano- to the macroscale, in ambient conditions and in real‐time. There are numerous techniques each having different modes of operation including label‐free and labelled analyses.

Cancer Research UK has identified that building an understanding of the inter- and intra- heterogeneity of tumours and their evolution over time and in response to therapy will require greater insight into the underlying biology, using in vivo and in vitro models and integrating biomarkers into both early- and late-phase trials. In 2017 the Grand Challenge programme was launched. Our collaborative action involves NPL, Imperial College London, The Beatson Institute, ICR, Barts Cancer Institute, The Francis Crick Institute, The University of Cambridge and AstraZeneca. Together we will develop a validated pipeline for multi-scale imaging of tumours collected from GEMMs and patients.

By pursuing a multiscale and multi-omics approach with a range of mass spectrometry imaging approaches we aim to deepen our understanding of the interplay of genes, proteins, metabolites and the role of the immune system in cancer development and growth.

This presentation will review early results and a discussion of the challenges associated with such a large, multi-technique, multi-site, mass spectrometry project.

2:55 PM – 3:25 PM

Working toward global omics analyses for clinical applications: High-throughput proteomic workflows

Professor Danielle Gutierrez
Research Assistant Professor of Biochemistry, and Project and Communications Manager
Vanderbilt University

Integrated multi-omics analysis is a powerful strategy for comprehensive interrogation of complex biological issues, such as multifaceted pathologies. However, these investigations require temporal resolution, analysis of multiple conditions, and adequate replicates to gain insight into the key mechanisms involved, limiting their utility for high-throughput applications such as clinical studies, therapeutic resistance, and drug development. Data such as protein abundance changes, phosphorylation state, subcellular location, and metabolic status are central to understanding cellular response to perturbation and characterizing disease states. A key challenge to obtaining these global mechanistic data in a high-throughput fashion is the limited amount of sample when working with automated, 96-well plate protocols. To begin overcoming these barriers, we have developed a rapid unified sample prep that permits sample collection for transcriptomics, proteomics, and metabolomics from a common sample in less than half a day, efficient LC-MS/MS acquisition methods, and a data analysis pipeline. The results for label-free, SILAC, and phSILAC analyses show that the high-throughput multi-omics workflows perform equally or better than the more time consuming traditional proteomic protocols. Current efforts are to transform these sample preparation and acquisition strategies into 96-well plate assays for complete preparation and analysis in one day. The overarching goal is to build a high-throughput multi-omics platform that provides global views of cellular response and disease states to drive an efficient understanding of currently challenging biological and clinical issues.

3:30 PM – 5:00 PM


Pharmaceutical: Peptides and Proteins: Using LC-MS Technologies to Tackle Big Challenges in Quantification and Metabolism Across Drug Discovery and Development

Molecule complexity and diversity continue to be driving forces in drug discovery and development, and the challenge these new entities pose for DMPK laboratories working with biological samples remains significant. What it demands of the scientist is resourcefulness in navigating a variety of potential workflows and technologies, assessing the advantages and disadvantages of each, upskilling and implementation, all while taking into account the potential impact on adjacent groups. This session will highlight the interplay among critical factors in these workflows such as sample preparation, LC separation, MS selectivity and data processing, and serve as evidence that no single approach or technology is the silver bullet.

1:00 PM – 1:30 PM

A Powerful Hybrid IA-LC-MS/MS Method for Routine Quantification of Insulin Analogues and their Biosimilars in Clinical Trial Samples

Michael Blackburn, M.Phil
Bioanalytical Scientist, Method Development Specialist

Mass spectrometry based assays are rapidly becoming the gold standard for the analysis of insulin biosimilars, and are increasingly requested by regulatory authorities during clinical trials for new diabetic therapies, due to their superior specificity.

The sensitivity of the Xevo TQ-XS, combined with immunoaffinity extraction and UPLC is a powerful combination for these demanding compounds; in this presentation, we show robustness and precision data from multiple clinical trials. The intention is to show how this approach enables companies and regulators to bring forward new compounds and combinations in this important field.

1:35 PM – 2:05 PM

Development of a Workflow for the Metabolite Profiling and Identification of Peptide-Based Large Molecules

Helen Robinson, Ph.D
Associate Scientist
Covance Laboratories

There is a growing interest within the pharmaceutical industry in the use of large molecules and biotherapeutics as drug compounds. We are currently working on developing large molecule metabolite identification workflows. To this end, we have incubated a variety of known peptides (ca. 25-50 amino acids) with rat kidney homogenate or cryo-preserved rat hepatocytes prior to analysis using a Waters Vion IMS-QTof. This presentation will discuss how UNIFI workflows can be used to interrogate peptide metabolism data.

2:05 PM – 2:20 PM


2:20 PM – 2:50 PM

Developing bioanalytical assays and workflows for peptide/protein biomarkers and biotherapeutics: Getting the right assay the first time

Matt Szapacs, Ph.D
Group Leader Exploratory Biomarker Assay Group

In recent years the use of LC-MS technologies for the quantitation of peptide/protein biomarkers has increased dramatically.  This presentation will focus on case studies highlighting the use of systematic method development strategies for both intact analysis and methods involving digestion.  In addition, instrument selection (High resolution vs. QQQ) will be highlighted.

2:55 PM – 3:25 PM

High Resolution Mass Spectrometry for Quantitative and Qualitative (Quant/Qual) Bioanalysis of Antibody-based Therapeutics using Intact mAb and Subunit Detection

John T. Mehl, Ph.D
Sr. Research Investigator, Bioanalytical Research
Bristol-Myers Squibb

As antibody-based therapeutics become more common and more structurally complex, there is an increased need for more in depth understanding of the in vivo disposition of this class of drug modality.  Combining high resolution mass spectrometry with affinity capture sample preparation enables simultaneous Quant/Qual bioanalysis of antibody-based therapeutics from complex biological samples.  By chemically and enzymatically fragmenting affinity purified antibodies into smaller subunit components, relatively high quantitative sensitivity is achieved, along with the ability to analyze metabolically formed drug variants.  This presentation will provide an overview of affinity sample preparation and highlight examples of how both Intact and subunit mAb bioanalysis provides insight into the in vivo disposition of antibody-based therapeutics.

3:30 PM – 5:00 PM