The 58th ASMS Conference on Mass Spectrometry and Allied Topics

Date: 23 – 27 May 2010
Venue: Salt Lake City, Utah, USA
Website: www.asms.org

The American Society for Mass Spectrometry (ASMS) was formed in 1969 to promote and disseminate knowledge of mass spectrometry and allied topics. Membership includes over 7,500 scientists involved in research and development. Members come from academic, industrial and governmental laboratories. Their interests include advancement of techniques and instrumentation in mass spectrometry, as well as fundamental research in chemistry, geology, forensics, biological sciences and physics.

From 23 – 27 May 2010, the ASMS will be holding the annual conference on Mass Spectroscopy and Allied Topics at the Salt Palace Convention Center, 100 S. West Temple, Salt Lake City, UT 84101. All oral sessions, poster sessions, and exhibit booths will be located in the Convention Center. The Annual Conference on Mass Spectrometry and Allied Topics is attended by more than 6,500 scientists. Nearly 3,000 papers are presented as posters and talks.

The program will begin on Sunday 23 May with tutorial lectures at 5:00 pm and the opening session and plenary lecture at 6:45 pm. The Welcome Reception in the exhibit hall will follow. Monday through Thursday will be full program days of concurrent oral sessions, poster sessions and workshops. The program will conclude at 6:30 pm on Thursday 27 May with a plenary lecture followed by a reception. The conference will conclude with a toast at 5:30 pm on Thursday immediately following the closing Plenary Lecture.

Guest registration

Guest registration includes the Welcome Reception and guest name badge. We regret that guest badges do not allow access to posters, talks or exhibits. There will be a hospi – tality desk in the conference registration

Corporate Membership and exhibits

The participation of the ASMS Corporate Members is an integral part of the conference. A Corporate Member exhibit booth or hosp – itality suite provides access to more than 6,500 scientists attending one of the most dynamic scientific conferences in the world.

Conference program

Short courses will run on 22 – 23 May. The two-day short courses available include FTMS: Principles and Applications, High Resolution LC-MS for Structural Identification and Quantification, Interpretation of Mass Spectra, Ion Mobility in Mass Spectrometry, LC-MS: Techniques of Electrospray APCI and APPI: Understanding and Optimising to Develop Successful LC-MS Methods, Practical LC-MS: Fundamentals Techniques and Applications, MALDI Imaging Mass Spectrometry and MS/MS: An Introduction, among others. The conference begins on 23 May, with tutorial lectures from Peter B. Armentrout, University of Utah and Walter A. Korfmacher, Merck Research Labora – tories. The opening session and plenary lecture comes from Leroy Hood from the Institute for Systems Biology.

Monday 24 May

Oral sessions:

• Increasing LC-MS Throughput for PK Assays
• Application of LC-MS for PK Characteristics of Biologics
• Fundamentals: Ion Structures and Energetics
• Quantitative Intact Proteomics
• MS Derived Peptide/Protein Biosignatures/Biomarkers
• New Developments in Ion Traps and Hybrid Instruments
• MS of Nucleic Acids
• MIST Case Studies and LC-MS Challenges
• Quantitative Measurements of Biologics
• Fundamentals: Supramolecular Chemistry – Non-Covalent Complexes
• Phosphoproteomics
• Qualitative Analysis of Protein Therapeutics by MS
• Advances in Ion Imaging
• MS of Synthetic Polymers

Workshops

Identification of Unique Metabolites: New MS Techniques and Strategies

Organised by Drug Metabolism and Pharmacokinetics Interest Group Ragu Ramanathan, Gabriella Szekely-Klepser, Lucinda Cohen, presiding The identification and quantification of xenobiotic metabolites in response to the MIST guidelines from the regulatory agency has sparked a lot of discussions recently amongst the practitioners of this field. A number of hot topics emerged from the quantification of metabolites without exact reference standards to utilisation of various software tools. Subject matter experts will be invited to discuss these topics with the audience, focusing on a practical level of information sharing that will complement the oral and poster sessions in this area.

Screening for Unknowns in our Environment Experience, Ideas, and Suggestions

• Organised by Environmental Applications Interest Group
• Enrico Davoli and Susan Richardson, presiding

During last year’s workshop we asked major MS manufacturers about their ideas for the future, for our high-end instrumentation, for automated screening, and unknown identification. High resolution and LC/MS instrumentation are extremely powerful, but a lot of work still needs to be done by ‘the mass spectrometrist.’ We would like to have environmental scientists’ opinions about this difficult and important task that we are more and more frequently asked to do. We will also discuss new software and approaches available.

Fundamentals Interest Group

• Nick Polfer and Daniel Austin, presiding In the tradition of the fundamentals workshop, we will encourage young mass spectrometrists to give short presentations on topics of interest to generate an informal discussion. While the exact topics are dependent on the choice of oral presentations at ASMS, it is expected that ion mobility and ion spectroscopy will feature prominently.

The Reliability of PTM Assignments

• Katalin F. Medzihradszky, presiding Mass spectrometry has become the method of choice for analysing post-translational modifications. Many PTM studies are carried out using targeted enrichment followed by LC/MS/MS in an automated, high throughput manner. Modified peptide identification as well as modification site assignments are performed by a variety of search engines. Though these search engines are able to deal with some aspects of PTM analysis, they are challenged by the diverse nature of PTMs. We will focus on the reliability (or the lack of it) of automated site assignments, manual inspections, software tools and data presentation/publication. We will also discuss the often overlooked problem of nonbiological PTMs.

Hot Topics in LC-MS Instrumentation Troubleshooting

• Organised by LC/MS & Related Topics Interest Group
• J. Will Thompson, presiding

The LC-MS & Related Topics Interest Group workshop for 2010 will focus on user-defined areas of instrumentation troubleshooting. A survey of the Interest Group will be used to decide which troubleshooting or training areas will be the most beneficial, including but not limited to LC column efficiency, column hardware problems, LC or MS software problems and MS performance.

Undergraduate Research in Mass Spectrometry Interest Group Meeting

• Jen Grant and Mike VanStipdonk, presiding We have formed this interest group to consider the challenges and synergies in pursuing undergraduate research from the perspective of both the mentor and mentee. As a group of peers, we will consider issues such as funding, maximising our activities at ASMS, instrumentation access, etc. In addition, we will strategise as to the future activities of this interest group.

Quantitative Intact Proteomics (QIP)

• David Friedman and Julian Whitelegge, presiding

We propose an open forum format where Julian and David moderate the discussion while “roaming the room” with microphones to be handed to participants. David/Julian will open the workshop with a five minute introduction to QIP themes, and present a short list of possible discussion points generated from a pre-survey using our existing email interest list. A small panel of 2 or 3 additional experts will be invited to give a 5-minute presentation on a topical area in the beginning, and then remain in front during the discussion. Kathryn Lilley (Cambridge) has already accepted our invitation to be on the expert panel; she is an expert on QIP-related issues, including experimental design and statistical power.

NIH Update: Funding Opportunities and Recent Policy Changes

• Douglas Sheeley, presiding

The National Institutes of Health has recently made changes to several aspects of the application and review process, including new formats and page limits for applications, a new scoring system, and a new format for summary statements. NIH staff will provide an overview of these changes, as well as more general information on NIH policies and the grant application process. In addition, current funding opportunities related to mass spectrometry will be discussed, including small business grants.

Tuesday 25 May

Oral sessions:

• Incurred Sample Reanalysis and LC-MS Solutions
• Quantitation of Xenobiotic Metabolites without Reference Standards
• Fundamentals: Biomolecular Ion Radical Chemistry
• Quantitation in Proteomics: Peptides
• Characterising Protein-Ligand Interactions with MS
• MS of Lipids
• MS of Viruses
• Special LC-MS Techniques to Identify Unusual Xenobiotic Metabolites
• Dealing with Phospholipids in LC-MS/MS Regulated Bioanalysis
• Fundamentals: Ion Spectroscopy
• Bioinformatics in Proteomics
• MS and Immunology
• New Developments in Ionisation
• MS of Carbohydrates

Workshops

Current Topics in FTMS

• Organised by FTMS Interest Group
• Adam Hawkridge, presiding

An anonymous web-based survey was conducted in January/February 2010 to assess the experience levels and interests of the FTMS Interest Group Members that could then be used to guide the organisational structure and content of the Workshop. The number of topics covered during the Workshop will be kept to a minimum as will the length of any presentation to maximise time for discussion. An outline of the topics with potential discussion points will be made available before the start of ASMS via the FTMS Interest Group webpage.

Metabolomics Current Challenges and Future Directions

• Organised by Metabolomics Interest Group
• Lloyd W. Sumner & William R. Wikoff, presiding

The objective of this workshop is to gather together active metabolomics researchers to discuss the current challenges and future directions of the field in the presence of those who wish to learn more about metabolomics. Key topics of discussion will include instrumental advances, data standards, data acquisition and processing, databases and repositories, and metabolite identification and annotation. A panel will guide the discussion, and substantial proportion of the allotted time will be allocated for audience feedback.

LC/MS/MS Analysis of Biomarkers and their Impact on Drug Development

• Organised by Pharmaceuticals Interest Group
• Carmen T. Santasania and Chris Petucci, presiding

The purpose of this workshop will be to explore the role that mass spectrometry plays in the analysis of biomarkers. A panel led discussion will centre around the challenges that bio markers pose to the analyst and their impact on drug development.

Problem Solving Session

• Organised by Polymeric Materials Interest Group
• Michael Polce, presiding

The workshop will consist of several short informal presentations (3-5 power point slides) in which speakers briefly describe a specific unresolved measurement challenge they have encountered (sample prep, ionisation issues, data interpretation, etc.) and the audience provides useful comments and suggestions in an open discussion. A brief meeting will follow to discuss any technical topics of current interest to the group (ion mobility MS of polymers, MS/MS, polymer pyrolysis, new instrumentation, etc.).

Biologics Mass Spectrometry: Best Practices and Recent Developments

• Organised by Protein Therapeutics Interest Group
• Guodong Chen & Jon Williams, presiding

Protein Therapeutics Interest Group (PTIG) is concerned with characterisation of protein therapeutics with mass spectrometry, one of rapidly growing fields in the biopharmaceutical industries. This inaugural workshop will bring together experienced scientists and newcomers in the field. Meeting will include a panel discussion on best practices in structural characterisation of protein therapeutics and recent advances in quantitative analysis of protein therapeutics in plasma samples. There will be several short informal presentations, followed by discussions. The meeting will begin with brief discussions on PTIG impact on 2010 ASMS conference program and request for suggestions on 2011 sessions as well as workshop topics.

Careers of Young Mass Spectrometrists

• Organised by Young Mass Spectrometrists Interest Group
• Connell Cunningham and Bich Vu, presiding

The workshop will hold panel discussions which deal with issues related to the young mass spectro – metrists careers. Representatives from industry, academia, and government organisations will be invited to give advice on career prospects. The topics will be related to scientific publishing, grant writing, management, entrepreneurship, career pathways in academia and industry, as well as in government organisations.

Challenge in LC-MS/MS Bioanalysis: Scientific Investigations following Incurred Sample Reanalysis (ISR) – Failure and Different Approaches and Techniques for Phospholipids Removal

• Organised by Regulated Bioanalysis Interest Group
• Fabio Garofolo, Stephen Lowes, and Patrick Vallano, presiding This year workshop will focus on the following two hot topics:

1. Conducting Incurred Sample Reanalysis (ISR) is now a well established experiment for those performing quantitative bio – analysis in support of PK determinations for regulatory submission. Subsequently, attention has turned to investigating ISR failure to meet reproducibility acceptance criteria and other unexpected outcomes. During this discussion, we will explore practical ISR out-of-specification investigations (OOSI) conducted in support of pre-clinical/clinical studies. The debate will step through established and implemented approaches to the investigation process, the associated conclusions and investigation reporting for support of regulated bio – analytical studies.
2. Phospholipids are present in biological matrices to a great extend. The presence of phospholipids in sample extracts may produce severe matrix effect and significantly impact the chromatography. We will discuss the extraction conditions that remove phospholipids and the recent approaches used by the industry to handle the effects produced by phospholipids.

The purpose of this workshop is to provide an educational forum to discuss issues and applications associated with the LC-MS/MS Bioanalysis. The dynamic and productive discussion will be led by three panelists who are recognised international experts in the field.

Rearrangement Reactions in Peptide Fragmentation: From Fundamentals to Applications

• Organised by Peptide Fragmentation Interest Group
• Gavin Reid & Bela Paizs, presiding

Rearrangement reactions in peptide fragmentation have received significant attention in the last few years. Typical examples include head-totail cyclisation and reopening (scrambling) reactions of b-type fragments formed by CID, migration of phosphate groups in phosphorylated peptides upon CID, and radical-driven rearrangements upon ECD/ETD of peptide ions. This workshop will provide a forum for researchers studying these rearrangement reactions using both fundamental and statistical methodologies to discuss the application of the related chemistries for peptide sequencing.

Wednesday 26 May

Oral sessions:

• LC-MS Strategies for Metabolomics and Drug Discovery
• Clinical Applications of Integrated Qualitative and Quantitative LC-MS
• Fundamentals: Multiple Charging in Ionisation
• Characterising PTMs
• MS and Clinical Diagnostics
• MS of Fuels
• Environmental MS: Identification of Unknowns
• LC-MS Methods for Reactive Xenobiotic Metabolites
• LC-MS Challenges and Solutions for Detecting Pharmaceuticals and Metabolites in Drinking Water
• Fundamentals: Ion/Molecule, Ion/Ion, Ion/Electron Interactions
• MS of Glycoproteins
• MS and Systems Biology
• FTMS: ICR, Orbitrap, etc.
• MS in Eco-Toxicology and Environmental Toxicology

Workshops

Ion Mobility-Mass Spectrometry for Structural Biology

• Organised by Ion Mobility MS Interest Group
• John A. McLean and Brandon T. Ruotolo, presiding

The utility of structural separations on the basis of ion mobility-mass spectrometry (IM-MS) has recently shown considerable promise in structural biology research. This workshop will be a forum for discussing the level of structural insight that can be obtained through IM-MS measurements, what additional technology would be necessary to elevate the impact of these measurements in the field of structural biology, and finally the challenges and limitations of IM-MS based studies relative to other structural probes. This workshop attempts to align the commonalities of IM-MS structural and allied studies to better enumerate both the present state-of-the-art as well as future directions for promoting the wider use of IM-MS in structural biology.

Challenges in MS Data Analysis

• Organised by Bioinformatics for MS Interest Group
• Marc Kirchner, presiding

The workshop will feature two ‘starter/ provocation’ talks (with automatically advancing slides, so no chance to lengthen the presentation time) on current challenges in two MS Bioinformatics fields: (i) practical application of computational methods and (ii) computational MS statistics and method development.

Towards an Automated Mass Spec Analyser for Clinical Labs – What, When and How?

• Organised by Clinical Chemistry Interest Group
• Nigel Clarke and Russell Grant, presiding

Mass Spectrometry has become the new area of interest in the clinical diagnostic world over the last few years. It is growing at an astounding rate with tests such as testosterone and vitamin D leading the way. While the high complexity Dx labs can afford to buy, upkeep and staff these complicated instruments even they will agree that we need to simplify their operation to reduce subjectivity and errors in results. Furthermore, at present large numbers of labs that want to use this technology are sitting on the side-lines waiting for it to become more ‘user-friendly.’ We propose to put together a mix of labs and vendors and generally interested parties to discuss the needs and solutions for this situation.

Practical Aspects of New Techniques for Volatile Compound Analysis

• Organised by Flavour, Fragrance and Foodstuff Interest Group
• David Heller, presiding

New techniques have been introduced in recent years with applicability to volatile compounds. These techniques include new mass analysers coupled with gas chromatography, such as new GC-TOF and GC-MS/MS hybrids, and new ionisation techniques, such as ambient ionisation and extractive electrospray ionisation. This workshop aims to bring together developers or practitioners of such new techniques to discuss practical applications to volatile compounds important to the flavor, fragrance and foodstuff arena. Attendees are invited to share relevant challenges and problem-solving techniques in an open discussion format. We hope to use this Interest Group’s Forum page at the ASMS web site for advance discussion of specific topics and techniques.

H/D Exchange and Covalent Labelling

• Organised by H/D Exchange and Covalent Labelling Interest Group
• Michael Chalmers and Janna Kiselar, presiding

The workshop will provide a forum that is focused on the discussion of the methods/experimental parameters of HDX and covalent labelling experiments. The workshop will open with a short update on the state of the field. There will be a number of short talks to introduce new advances within the field to the attendees. The goal of the talks (five minutes maximum) will be to stimulate discussion. The workshop will also contain a question and answer session with questions being submitted in advance.

Troubleshooting the Imaging Process

• Organised by Imaging MS Interest Group
• Michelle Reyzer, presiding

This workshop will provide a forum for attendees to get helpful hints for getting around common problems in the imaging process. Several speakers (3-4 slides each) will present tips for overcoming challenges at any point in the image generation process, from sample preparation, to image acquisition, to image processing. This will be followed by an informal discussion on specific issues brought up by the audience.

The Great Dissociation Debate. What’s Your Favorite Way to Dissociate Ions Inside an Ion Trap?

• Organised by Ion Trap Mass Spectrometry Interest Group
• Heather Desaire, presiding

This workshop will be an informal venue for speakers to discuss the relative merits of established and new methods of ion dissociation inside ion traps. New methods such as photodissociation, HCD, and various laser dissociation methods will be explored and compared to standard CID methods, for a variety of different compound types.

Metal Ions: Bridging the Gap between the Gas Phase and Solution

• Organised by the Metal Ions Interest Group
• Victor Ryzhov, presiding

This workshop traditionally encompasses various topics involving gas-phase metal ions (bare and coordinated), including challenges in metal ion formation, their reactivity, structure and energetics. This year, the focus of the workshop will be on bridging the gap between the solution and gas-phase data. How can the gas-phase measurements be used best to address condensed phase questions? Sample topics may include hydrated metal ions/clusters and metal ion/biomolecule complexes (originated in the gas-phase or in solution). Approaches complementary to the experimental mass spectrometry techniques (such as theoretical calculations and ion spectroscopy) will be discussed.

Glycomics and Glycoproteins

• Ronald Orlando, presiding

This workshop will focus on the analytical challenges associated with glycomics and glycoprotein characterisation, particularly: the accurate identification of individual glycans present in isomeric mixtures; and the ability to quantitatively identify changes in glycan abundance. The workshop will open with an overview of these issues, and will be followed by several short talks. The workshop will conclude with an informal discussion on specific issues brought up by the audience.

Thursday 27 May

Oral sessions:

• Automated and Post-Acquisition Software Tools for Xenobiotic Metabolites
• Dried Blood Spot Analysis
• Electron and Photon-Based Ion Activation/ Dissociation – PD, ECD, ETD, EDD, etc.
• MS and Cellular Pathways
• H/D Exchange for Protein Structure and Folding
• Ion Mobility and MS
• Metabolomics: Measurements and Bioinformatics for Biomarker Identification
• Quantitation of Endogenous Analytes in Regulated Bioanalysis
• Laser/Surface Desorption Techniques for ADME
• Fundamentals: Ion-Surface Interactions and Preparative MS
• MS of Membrane Proteins
• Novel Developments in Instrumentation
• Biomolecular Structure Analysis by Covalent Labeling and Cross Linking: Future Directions
• Peptide Ion Fragmentation