2:30-4:30 pm MONDAY
FOOD SAFETY AND CHEMISTRY: FOODOMICS, ALLERGENS, BACTERIA, FOODS
Katherine L. Fiedler (U.S. FDA) Hall 1, level 1
MOA pm 02:30 SWATH vs. MRM for Food Safety -Using Advanced MS to Verify the Gluten-free Status of Barley; Michelle Lisa Colgrave1; Keren Byrne1; Gregory Tanner2; Crispin Howitt2; 1CSIRO Agriculture, Brisbane, Australia; 2CSIRO Agriculture, Canberra, Australia
MOA pm 02:50 Analyses of Human Milk Oligosaccharides Discover Factors that Enhance and Diminish Infant Growth; Jasmine C. C. Davis1; Sarah Totten2; Lauren D. Wu1; Sridevi Krishnan1; Mark R. Charbonneau3; Michael J. Barratt3; Jeffrey I.
Gordon3; Angela M. Zivkovic1; Carlito B Lebrilla1;
1University of California, Davis, Davis, CA; 2Stanford University School of Medicine, Palo Alto CA;
3Washington University in St. Louis, St. Louis, MO MOA pm 03:10 Risk Verses Benefits for Cadmium, Lead and
Mercury Exposure From Seafood Consumption;
Marc E. Engel; FDACS, Tallahassee , FL MOA pm 03:30 Chemical Changes in a Gamma Ray-Irradiated
Rodent Diet Revealed by nanoLC-MS/MS; Jeevan K Prasain1; Landon Wilson1; Clinton J Grubbs1; Stephen Barnes1; 1University of Alabama at Birmingham, Birmingham, AL
MOA pm 03:50 Investigation of Sample Preparation and Data Acquisition Effects on Non-Targeted Screening of Food Matrices Using LC/HR-MS; Ann M Knolhoff1; Caitlin Kneapler1; Timothy R Croley1;
1FDA/CFSAN, College Park, MD
MOA pm 04:10 Forensic Analysis of a Mass Poisoning in Mozambique Associated with a Homebrewed Beverage using LC-HRAM MS and DART-MS; Sara Kern1; Travis M. Falconer1; Jennifer L Brzezinski1; Brian L Boyd1; James A Turner1; Jonathan J Litzau1; 1US FDA, Cincinnati, OH
2:30-4:30 pm MONDAY
FUNDAMENTALS: ION SPECTROSCOPY
Thomas Rizzo (École Polytechnique Fédérale de Lausanne (EPFL))
Room 221, level 2
MOB pm 02:30 Structural Transitions in Gas Phase Proteins Investigated via IR Spectroscopy: from Native to Helical to Unzipped; Isabel Gonzalez1; Eike Mucha1; Jongcheol Seo1; Waldemar Hoffmann1; Stephan Warnke1; Kevin Pagel1, 2; Gert Von Helden1;
1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany; 2Freie Universität Berlin, Berlin, Germany
MOB pm 02:50 Understanding Structures of Amino Acid Cluster Ions in the Gas Phase: Solved and Unsolved Problems; Xianglei Kong; Nankai University, Tianjin MOB pm 03:10 Conformation-specific IR-UV Double-resonance
Spectroscopy and Structural Analysis of Sodiated Leucine Enkephalin; Nicole Burke1; Christopher Harrilal1; Andrew DeBlase1; Timothy Zwier1; Scott A McLuckey1; 1Purdue University, West Lafayette, IN
MOB pm 03:30 Action-Excitation Energy Transfer for the Structural Characterization of Proteins; Nathan Hendricks1; Ryan R Julian2; 1University of California, Riverside, Riverside, CA; 2University of California, Riverside Riverside, CA
MOB pm 03:50 Gas-phase VUV Photoionization and Photofragmentation of Geometrically Well-Defined Coinage Metal Nanocluster Cations;
Richard A. J. O’hair1; Steven Daly2; Athanasios Zavras 3; Laurent Nahon4; Jiaye Li5; Alexandre Giuliani4; Rodolphe Antoine2; Philippe Dugourd2,
6; 1University of Melbourne, Victoria, Australasia;
2Université Lyon, Lyon, France; 3University of Melbourne, Melburne, Australia; 4SOLEIL, l’Orme des Merisiers, St Aubin, Gif sur Yvette Cedex, France; 5University of Melbourne, Victoria, Australia;
6CRNS, Lyon, France
MOB pm 04:10 Near-UV Water Splitting by Gas-Phase Copper(bipy) Complexes; Andy Dang1; Frantisek Turecek1; Christopher J Shaffer2; Victor Ryzhov3; Michael Lesslie3; John Lawler3; 1University of Washington, Seattle, WA; 2Valspar, Minneapolis, MN; 3Northern Illinois University, DeKalb, IL
2:30-4:30 pm MONDAY
INSTRUMENTATION: NEW DEVELOPMENTS IN IONIzATION AND SAMPLING
W. Alexander Donald (University of New South Wales) Stars Ballroom 1, level 3
MOC pm 02:30 Measuring Masses of Single Bacterial Whole Cells with Laser Induced Acoustic Desorption Plasma Charge Detection Quadrupole Ion Trap Mass Spectrometer; Shao-Yu Liang1; Chou-Hsun Han1; Dineshkumar Yograj Turkar1; Avinash Adhikrao Patil1; Szu-Wei Chou1, 2; Wen-Ping Peng1; 1National Dong Hwa University, Shoufeng Hualien, Taiwan;
2AcroMass Technologies, Inc. Taipei, Taiwan MOC pm 02:50 Near Field Ablation High Lateral Resolution
Sampling for Mass Spectrometry; Fan Cao1; Fabrizio Donnarumma1; Kermit K Murray1;
1Louisiana State Univeristy, Baton Rouge, LA MOC pm 03:10 Ultra-Soft Picosecond Laser Extraction of
Biological Compounds from Water and Tissue for Mass Spectrometry; Wesley Robertson1; Yinfei Lu1; Cornelius L Pieterse1; Frederik Busse1; R.J.Dwayne Miller1; 1Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
MOC pm 03:30 Automated High Throughput Identification of Microorganisms using Rapid Evaporative Ionisation Time of Flight Mass Spectrometry (REIMS-ToF-MS); Zsolt Bodai1; Daniel Simon2; Schaffer Richard2; Frankie Bolt1; Tamas Karancsi2; Julia Balog2; Tony Rickards1; Adam Burke1; Simon Cameron1; Kate Hardiman1; Monica Rebec1; Zoltan Takats1; 1Imperial College, London, United Kingdom;
2Waters Research Center, Budapest, Hungary MOC pm 03:50 A Robotic Trapping Column Exchanger for Increasing Clinical Assay Throughput by Capillary Liquid Chromatography-Mass Spectrometry; Sandra E. Spencer1; Huilin Shi2; Thomas N. Corso3; Michael J MacCoss2; 1Univ.
of North Carolina at Chapel Hill, Chapel Hill, NC; 2University of Washington, Seattle, WA;
3CorSolutions, LLC., Ithaca, NY
MOC pm 04:10 Open Probe Fast GC-MS – Combining Ambient Sampling, Ultra-Fast Separation and In-Vacuum Ionization for Real Time Forensic Analysis; Uri Keshet1; Aviv Amirav2; Alexander B Fialkov1; Tal Alon1; 1Tel Aviv University, Tel Aviv, Israel; 2Tel-Aviv University, Tel-Aviv, Israel
GENERAL INFORMATION
MONDAY AFTERNOON ORAL SESSIONS
2:30-4:30 pm MONDAY
ANTIBODIES AND ANTIBODY DRUG CONJUGATES Shawna Hengel (Seattle Genetics, Inc.)
Stars Ballroom 2-3, level 3
MOD pm 02:30 Leveraging Antibody Structure Analysis via Data Multiplexing in Top-Down Targeted Protein analysis; Kristina Srzentic1; Konstantin Nagornov2; Anton N Kozhinov2; Yury O Tsybin2; 1Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland; 2Spectroswiss Sàrl, Lausanne, Switzerland
MOD pm 02:50 Extending the Middle-Down HDX-MS Method for Residue-Level Structural Characterization of Antibody-Antigen Complexes; Jingxi Pan1; Suping Zhang2; Christoph H. Borchers1, 3; 1University of Victoria - Genome BC Proteomics Centre, Victoria, BC, Canada; 2MRM Proteomics, Inc., Victoria, BC, Canada; 3Department of Biochemistry and Microbiology, University of Victoria, Victoria, BC, Canada
MOD pm 03:10 A Modular and Adaptive Mass Spectrometry-Based Platform for Support of Bioprocess Development toward Optimal Host Cell Protein clearance; Feng Yang1; Donald E. Walker1; Joseph Carver1; David A. Michels1; Christopher Yu1;
1Genentech Inc, South San Francisco, CA MOD pm 03:30 Where Did the Linker-Payload Go? A
Quantitative Investigation on the Destination of Released Linker-Payload from Antibody-Drug-Conjugate with Maleimide-Linker in Plasma;
Cong Wei1; Guodong Zhang2; Tracey Clark1; Frank Barletta1; Nathan Tumey1; Brian Rago1; Steven Hansel1; Xiaogang Han1; 1Pfizer, Groton, CT; 2Shire, Lexington, MA
MOD pm 03:50 Profiling Multiple Post-translational Modifications of Therapeutic Antibodies Circulating in Human Patients; Yinyin Li1; Michael Monine1; Yu Huang1; Patrick Swann1; Yelena Lyubarskaya1; 1Biogen Inc., Cambridge, MA MOD pm 04:10 Model-Based Algorithms for Intact Mass
Analysis of Biotherapeutics; Marshall W. Bern1; Yong J Kil2; Eric Carlson1; Doron Kletter1; Wilfred Tang1; Christopher Becker1; 1Protein Metrics, Palo Alto, CA; 2Protein Metrics, San Carlos, CA
2:30-4:30 pm MONDAY
DATA INDEPENDENT ACQUISITION: INNOVATIVE METHODS AND APPLICATIONS
Andrew K. Ottens (Virginia Commonwealth University) Stars Ballroom 3-4, level 3
MOE pm 02:30 LC–SWATH-MS/MS Data Acquisition with Deconvolution of High-Resolution MS Data in Metabolomics; Tomas Cajka1; Oliver Fiehn1; 1UC Davis Genome Center, Davis, CA
MOE pm 02:50 A Promising Alternative to SWATH:MS1-based Strategy(IonStar) Enables In-Depth and Reproducible Proteomics Quantification in Large Cohorts with High Accuracy and Extremely-Low-Level-Missing-Data; Xiaomeng Shen1, 2; Jun LI3; Shichen Shen1, 2; Qiang Hu4; Xin Miao3; Chengjian Tu3, 2; Lei Nie5; Xue WANG4; Jianmin Wang4; William J Jusko3; Benjamin C Orsburn6; Jun Qu2, 3; 1Dept.
of Biochemistry at SUNY at Buffalo, Buffalo, NY;
2Center of Excellence in Bioinformatics&Life Sci., Buffalo, NY; 3Dept. of Pharmaceutical Sci. at SUNY at Buffalo, Buffalo, NY; 4Rosewell Park Cancer Institute, Buffalo, NY; 5Shandong University, Jinan, Shandong; 6Thermo Fisher Scientific, San Jose, CA
MOE pm 03:10 Qualitative and Quantitative Characterization of a Novel DIA Method for Omics Analysis and its Application to Biomedical Analyses; Arthur Moseley1; Chris Hughes2; Erik J. Soderblom3; Keith Richardson2; Will Thompson4; Jason Wildgoose2; James Langridge2; 1Duke University School of Medicine, Durham , NC; 2Waters, Wilmslow, United Kingdom; 3Duke University School of Medicine, Durham, NC; 4Duke University School of Medicine, Durham, NC
MOE pm 03:30 Bidimensional FT-ICR MS: a fully Data Independent Acquisition; Fabrice Bray1; Lionel Chiron2; Matthias Witt3; Marc-André Delsuc4; Christian Rolando5; 1Univ. de Lille 1, Sciences et Technologies, Villeneuve d’Ascq, France;
2CASC4DE, Strasbourg, France; 3Bruker Daltonic GmbH, Bremen, Germany; 4Université de Strasbourg, Strasbourg, France; 5Univ. de Lille 1, Sciences et Technologies, Villeneuve d’Ascq MOE pm 03:50 Data Independent Acquisition for the Rapid
Screening of de novo Protein Designs; Jason Michael Gilmore1; Jorge Fallas1; George Ueda1; David Baker1; Michael J MacCoss1; 1University of Washington, Seattle, WA
MOE pm 04:10 High Content Discovery Proteomics of a Breast Tumor Tissue Microarray using Data Independent Acquisition; Bin Fang1; Douglas C Marchion1; Amol Prakash2; Scott M Peterman3; Michelle Fournier1; Zena Sayegh1; Joseph J Johnson1; Agnieszka Kasprzak1; Daryoush Saeed-Vafa1; Roohi Ismail-Khan1; Steven A Eschrich1; Anthony M Magliocco1; John Koomen4;
1Moffitt Cancer Center, Tampa, FL; 2Optys Tech Corporation, Philadelphia, PA; 3Thermo Fisher, San Jose, CA; 4H. Lee Moffitt Cancer Center, Tampa, FL
2:30-4:30 pm MONDAY INFORMATICS: METABOLOMICS
Hyung Won Choi (National University of Singapore) Hemisfair Ballroom 3, level 3
MOF pm 02:30 Collaborative Human Computing: The Next Generation Paradigm in Metabolomics; Mingxun Wang1, 2; Pieter Dorrestein3; Nuno Bandeira1, 2, 3;
1Center for Computational Mass Spectrometry, University of California San Diego, La Jolla, CA;
2Computer Science and Engineering, University of California San Diego, La Jolla, CA; 3Skaggs School of Pharmacy, UC San Diego La Jolla, CA
MOF pm 02:50 FDR-controlled Metabolite Annotation for High-Resolution Imaging Mass Spectrometry; Andrew Palmer1; Michael Becker2; Ilya Chernyavsky3; Dominik Fay1; Artem Tarasov1; Vitaly Kovalev1; Jens Fuchser2; Sergey Nikolenko1; Theodore Alexandrov1,
4, 5; 1European Molecular Biology Laboratory, Heidelberg, Germany; 2Bruker Daltonic GmbH, Bremen, Germany; 3University of Bremen, Bremen, Germany; 4Skaggs School of Pharmacy, UC San Diego La Jolla, CA; 5SCiLS GmbH, Bremen, Germany
MOF pm 03:10 Tandem Mass Spectral Libraries of Recurrent Unidentified Spectra for Urine and Plasma:
A New Kind of Library for Metabolomics Applications; Yamil Simon1; Ramesh Marupaka2; Xinjian Yan2; Yuri Mirokhin2; Kelly H. Telu2; William E Wallace2; Stephen E Stein2; 1NIST, Gaithersburg, MD; 2NIST, Gaithersburg MD
MOF pm 03:30 Hydrogen Rearrangement Rules for
Computational MS/MS Fragmentation; Hiroshi Tsugawa1; Wataru Tanaka2; Ryo Nakabayashi1;
MONDAY AFTERNOON ORAL SESSIONS
Kazuki Saito1, 3; Masanori Arita1, 4; 1RIKEN Center for Sustainable Resource Science, Yokohama, Japan;
2SOKENDAI, Mishima, Japan; 3Chiba University, Inage-ku, Japan; 4National Institute of Genetics, Mishima, Japan
MOF pm 03:50 New in BioCyc: Pathway Collages and Pathway Prediction Algorithm; Peter Karp; SRI International, Menlo Park, CA
MOF pm 04:10 Normalization and Integration of Large-Scale Mass Spectrometry-based Metabolomics Data Using Support Vector Regression; Xiaotao Shen1; Zhengjiang Zhu1; 1IRCBC, Chinese Academy of Sciences, Shanghai, China
2:30-4:30 pm MONDAY NUCLEIC ACID MS
Silvia Balbo (University of Minnesota) Hemisfair Ballroom 2, level 3
MOG pm 02:30 RNA Modification Mapping from Multiple Bacteria in a Single Sample using LC-MS/
MS; Xiaoyu Cao1; Patrick A Limbach2; 1University of Cincinnati, Cincinnati, Ohio; 2University of Cincinnati, Cincinnati, OH
MOG pm 02:50 Exploring the Use of Top-Down Mass
Spectrometry for the Identification, Localization, and Relative Quantitation of RNA Nucleobase Methylations; Heidelinde Glasner1; Christian Riml2; Christoph Falschlunger2; Ronald Micura2; Kathrin Breuker2; 1, Innsbruck, Tyrol; 2University of Innsbruck, Innsbruck, Austria
MOG pm 03:10 Cation Binding to Nucleic Acids; Adrien Marchand1; Clémence Rabin1; Sandrine Livet1; Solenne Delahaye1; Valentina D’Atri1; Josephine Abi-Ghanem1; Frédéric Rosu2; Valerie Gabelica1;
1Univ. Bordeaux / Inserm / CNRS (ARNA Laboratory), IECB Pessac, France; 2CNRS UMS 3033, IECB Pessac, France
MOG pm 03:30 Plasticity in Cancer Nucleotide Metabolism Revealed by Multiplexed MRM Assays; Thuc Le1; Soumya Poddar1; Joseph Capri1; Evan Abt1; Woosuk Kim1; Julian P Whitelegge1; Kym F Faull1; Caius Radu1; 1UCLA, Los Angeles, CA
MOG pm 03:50 Identification and Characterizations of 8,5′-cyclo-2′-deoxypurine Lesion-binding Proteins; Preston Williams1; Pengcheng Wang1; Yinsheng Wang1;
1University of California - Riverside, Riverside, CA MOG pm 04:10 Multi-Class Carcinogenic DNA Adduct
Quantification in Formalin-Fixed Paraffin-Embedded Tissues by Ultra-Performance Liquid Chromatography–Tandem Mass Spectrometry;
Jingshu Guo1; Byeong Hwa Yun1; Pramod Upadhyaya1; Lihua Yao1; Sesha Krishnamachari1; Thomas A. Rosenquist2; Arthur P. Grollman2; Robert J. Turesky1; 1University of Minnesota, Minneapolis, MN; 2Stony Brook University, Stony Brook, NY
2:30-4:30 pm MONDAY
COVALENT LABELING AND CHEMICAL CROSSLINKING Juri Rappsilber (University of Edinburgh and TU Berlin)
Hemisfair Ballroom 1, level 3
MOH pm 02:30 Crosslink-assisted Structure Determination of the Human Spliceosomal Subcomplex, U4/U6.U5 tri-snRNP; Olexandr Dybkov1; Romina V. Hofele1, 2; Dmitry E. Agafonov1; Berthold Kastner1; Wen-Ti Liu1; Holger Stark1, 3; Reinhard Luehrmann1; Henning Urlaub1, 2; 1Max Planck Institute for Biophysical Chemistry, Goettingen, Germany; 2University Medical Center (UMG), Goettingen, Germany;
3Georg-August-Universitaet Goettingen, Goettingen,
Germany
MOH pm 02:50 Developing a New Quantitative Cross-linking Mass Spectrometry (XL-MS) Strategy to Define in vivo Structural Dynamics of Protein Complexes;
Clinton Yu1; Xiaorong Wang1; Rosa I Viner2; Alex Huszagh1; Eric Novitsky1; Tonya Second2; Scott Rychnovsky1; Lan Huang1; 1University of California, Irvine, Irvine, CA; 2Thermo Fisher Scientific, San Jose, CA
MOH pm 03:10 Solving the Tertiary Structure of SalBIII Protein by Chemical Cross-Linking/Mass Spectrometry and Molecular Modeling; Allan Jhonathan Ramos Ferrari1; Hugo Cesar de Jesus1; Marcio Vinicius Bertacine Dias2; Luciana Gonzaga de Oliveira1; Peter Leadlay3; Fabio Cesar Gozzo1; 1University of Campinas, Campinas, Brazil; 2University of São Paulo, São Paulo, SP; 3University of Cambridge, Cambridge, UK
MOH pm 03:30 Combining zero-Length Cross-Linking and Label-free Proteomics to Identify Functional Binding Residues in an Ordered-Disordered Heterodimeric Protein Complex; Michelle Dubuke1; Stephanie Maniatis1; Mary Munson1; Scott A Shaffer1; 1UMass Medical School Department of Biochemistry and Molecular Pharmacology, Worcester, MA
MOH pm 03:50 Charting the Cellular Interactome by Proteome-Wide Cross-Linking Mass Spectrometry; Fan Liu1; Phlip Lossl1; Richard Scheltema1; Rosa Viner2; Albert Heck1; 1Utrecht University, Utrecht, The Netherlands; 2Thermo Fisher Scientific, San Jose, MOH pm 04:10 CAGlobal XL-MS: Proteome-scale Interactomes
Unifying Cross-Linked Datasets; Devin
Schweppe1; Chunxiang Zheng1; Juan Chavez1; Arti Navare1; Xia Wu1; Jimmy K Eng1; James Bruce1;
1University of Washington, Seattle, WA
4:45 - 5:30 PM, MONDAY AFTERNOON AWARD LECTURE
Jenny Brodbelt (University of Texas, Austin) presiding Hall 1, level 1
Award for a Distinguished Contribution in Mass Spectrometry
Scott A. McLuckey Purdue University