Florida State University 1800 East Paul Dirac Drive Tallahassee, Florida 32310 nationalmaglab.org 12 April 2017 Colleagues, On behalf of the National High Magnetic Field Laboratory and Florida State University, we welcome you to the 11th North American FT MS Conference! We hope that your stay in Key West will be personally and professionally rewarding. Topics span a broad range of techniques and applications. Posters will remain up throughout the meeting, to encourage discussions. The primary effort for organizing this conference has been provided by the conference coordinator, Karol Bickett. She has done an excellent job with the many required logistical and personal arrangements. Your registration fee covers only part of the expenses of this conference. The generous contributions of our sponsors have kept the meeting costs affordable for participants, and made it possible for us to assist with the expenses of the invited speakers and the numerous graduate student poster presenters. Please take an opportunity to thank our participating sponsors at their display tables. Thank you for joining us, and we look forward to a splendid conference! Sincerely, Christopher Hendrickson Director, Ion Cyclotron Resonance Program, NHMFL Christopher Hendrickson, Director, ICR Program 850.644.0711 | [email protected] Operated by Florida State University, University of Florida, and Los Alamos National Laboratory Supported by the U.S. National Science Foundation and the State of Florida 11th North American FT MS Conference Table of Contents Page # Welcome Letter 1 Table of Contents 2 Sponsors 3 General Information 4 Plenary Speaker Bio 5 Conference Schedule 6 Speaker Abstracts 11 Vendor Talk Abstracts 39 Student Award Abstracts 41 Poster Abstracts 56 Participant List 70 Notes 77 Author List 80 2 11th North American FT MS Conference THANKS TO OUR SPONSORS Platinum Sponsors National High Magnetic Field Laboratory https://nationalmaglab.org ExxonMobil www.exxonmobil.com ThermoFisher Scientific www.thermoscientific.com Bruker Corporation www.bruker.com Silver Sponsor Advion, Inc. www.advion.com 3 11th North American FT MS Conference General Information • Name tags must be worn at all times during the conference, including the oral sessions, the poster sessions, all mixers, all breaks and all meals. • Paid accompany guests are welcome to the opening mixer, the dinner Monday night and the banquet dinner Wednesday night. Name tags must be worn at these events. • Oral and poster sessions will be held in the Flagler Ballroom. • Please see conference program agenda for location of meals and breaks. • This is a non-smoking facility. Smoking is not permitted inside the buildings. • Photography is not permitted at the oral or poster sessions. • All cell phones must be turned off or set to vibrate during all oral sessions. Courtesy is expected. • A message board is located by the conference registration table. • Posters may be set up beginning on Sunday, April 23rd between 5:00 p.m. and 10:30 p.m. All posters should be in place by Monday, April 24th at 5:00 p.m. Posters must be removed no later than Wednesday, April 26th at 1:00 p.m. Please see the conference program for the appropriate poster number. Any posters remaining after 5:00 p.m. on Wednesday, April 26th will be discarded. • Speakers may review talks prior to sessions. Please see Greg Blakney as early as possible but, no later than, one session break prior to your scheduled talk. If you are the first talk in the morning, please see Greg the evening prior. • There is wireless available in the hotel. No password is required. Additionally, there is hard wired internet in the lodging rooms. • Those leaving early from the conference, but after hotel check out, may store their luggage with hotel bell staff. • Downtown shuttle from the hotel begins at 8:00 a.m. and every hour on the hour and drops off at Margaritaville and at the Butterfly Conservatory. Return from Margaritaville to the hotel at 20 past every hour. Last shuttle return from Margaritaville is at 11:20 p.m. 4 11th North American FT MS Conference Plenary Speaker Donald F. Hunt Donald F. Hunt is a University Professor of Chemistry and Pathology at the University of Virginia and pioneered efforts to develop methods and mass spectrometry instrumentation that set the standard for ultrasensitive detection and characterization of proteins and peptides. These contributions continue to underpin the whole field of proteomics and have had a dramatic impact on research in immunology, cell signaling, cell migration, chromatin biology and immunotherapy of cancer. He is a Fellow of the American Academy of Arts and Sciences and a consultant to Thermo-Fisher Inc. He has a Google Scholar h-index of 106 and an i10-index of 320. Don obtained his B.S. in Chemistry at the University of Massachusetts and, earned his Ph.D. in Organic Chemistry from the University of Massachusetts. He joined the University of Virginia in 1968 and has been a Visiting Professor at Cambridge University and at Imperial College of Science and Technology in England. 5 11th North American FT MS Conference KEY WEST MARRIOTT BEACHSIDE HOTEL Key West, Florida April 23 – 27, 2017 Conference Program Sunday 5:00 p.m.-10:30 p.m. Registration – Flagler Foyer April 23 Session I. Flagler Ballroom 7:25 p.m. Welcome: Alan Marshall National High Magnetic Field Laboratory/Florida State University 7:30 p.m. Don Hunt University of Virginia “Instrumentation and Methods for the Identification and Sequence Analysis of (1) Intact Proteins and Large Fragments on a Chromatographic Time-Scale and (2) Tumor Specific Post- Translationally Modified MHC Peptides for Immunotherapy of Cancer” (There will be a mixer following in the Flagler Terrace/Foyer) Monday 8:00 a.m. - 8:55 a.m. Breakfast – Flagler Terrace/Ballroom April 24 Registration Open – Flagler Foyer Session II. Flagler Ballroom 9:00 a.m. Richard Caprioli Vanderbilt University “Imaging Mass Spectrometry: Molecular Microscopy for Biology and Medicine” 9:30 a.m. Michael Gross Washington University “Chemical Footprinting and FTMS Bottom-Up Analysis for Membrane Protein Analysis” 10:00 a.m. Caroline DeHart Northwestern University "A Multi-Modal Proteomics Strategy for P53 Modform Characterization" 10:30 a.m. Break – Flagler Foyer/Terrace 6 Session III. Flagler Ballroom 11:00 a.m. Evan Williams University of California, Berkeley “Mass, Mobility and MSN Measurements of Individual Ions Using Charge Detection Mass Spectrometry” 11:30 a.m. Jon Amster University of Georgia “Nadel-Cell Behaviors Studied Using Particle-In-Cell Simulations” 12:00 p.m. Nathalie Agar Harvard Medical School “Mass Spectrometry for Image Guided Neurosurgery and Drug Development” 12:30-1:30 p.m. Lunch – Flagler Terrace/Ballroom Session IV. Flagler Ballroom 1:30 p.m. Lissa Anderson National High Magnetic Field Laboratory “Advancing Intact Protein Analysis Through Instrumentation and Data Acquisition Method Development” 2:00 p.m. David Goodlett University of Maryland, Baltimore “Lipid A as a Therapeutic and Diagnostic Target” 2:30 p.m. Thomas Oldenburg University of Calgary “Fuzzy Logic Assisted Compound Assignment Aids in Unravelling the FTMS Spectra of Complex Organic Mixtures from Petroleum Systems and Oceanic Dissolved Organ Matter. Towards Functional Applications of FTMS as a Routine Part of Organic Chemistry” 3:00 p.m. Break – Flagler Terrace 3:30 p.m. Ron Heeren Maastricht University “FTMS and Imaging: Resolving Hidden Features, Isomeric Structures and Disease Dynamics” 4:00 p.m. Jarrod Marto Harvard Medical School “Novel Chemoproteomic Approaches for Proteome-Wide Identification of Covalent Drug Targets” 4:30 p.m. Ashley Wittrig ExxonMobil Research and Engineering Company “Structural Elucidation of Petroleum Ions by CID on a 15T FT-ICR Mass Spectrometer” 6:00-7:15 p.m. Dinner- Flagler Ballroom 7 Sponsor Presentations. Flagler Ballroom 7:15-7:30 p.m. Announcements 7:30-7:45 p.m. ThermoFisher Scientific – Shannon Eliuk “A Simplified Approach to Fast and Accurate, High Throughput Targeted MS2 Quantitation Using Internal Standards” 7:45-11:00 p.m. Poster Presentations Tuesday 8:00 a.m. - 8:55 a.m. Breakfast – Flagler Terrace/Ballroom April 25 Registration Open – Flagler Foyer Session V. Flagler Ballroom 9:00 a.m. Helen Cooper University of Birmingham, UK “In Situ Protein Analysis: Latest Developments in Lesa Mass Spectrometry” 9:30 a.m. Scott McLuckey Purdue University “The Development of Electrostatic Linear Ion Traps as General Purpose Tandem Mass Spectrometers” 10:00 a.m. Jim Bruce University of Washington “Systems Structural Biology and Demands on Mass Measurement Accuracy” 10:30 a.m. Break – Flagler Foyer/Terrace Session VI. 11:00 a.m Chad Weisbrod National High Magnetic Field Laboratory “Mass Spectrometry at 21 T: What We’ve Learned So Far…” 11:30 a.m. Yury Tsybin Spectroswiss “On the Perspectives of FT-ICR MS at the Cyclotron Frequency” 12:00 p.m. Conference Photo on the beach Open afternoon to explore Key West 8 Wednesday 8:30 a.m.-9:25 a.m. Breakfast – Flagler Terrace/Ballroom April 26 Registration Open – Flagler Foyer Session VII. Flagler Ballroom 9:30 a.m. Roman Zubarev Karolinska Institutet “FTMS-Based Proteomics Goes Isotopic” 10:00 a.m. Kristina Håkansson University of Michigan “Tandem Mass Spectrometry Approaches to the Elucidation of Sulfur-Associated Protein Modifications” 10:30 a.m. Francisco Fernandez-Lima Florida International University “On the Coupling of Trapped Ion Mobility Spectrometry and Ultrahigh Resolution of FT-ICR MS” 11 a.m. Break – Flagler Foyer/Terrace 11:30 a.m. student (selected from poster presentations) 11:50 a.m. student (selected from poster presentations) 12:10 a.m. student (selected from poster presentations) 12:30-1:30 p.m. Lunch – Flagler Terrace/Ballroom Session VIII. Flagler Ballroom 1:30 p.m. Ying Ge University of Wisconsin-Madison “Novel Strategies in High-Resolution Mass Spectrometry-Based Top-Down Proteomics” 2:00 p.m.