Author Archives: Vera

Wednesday 12th October

15.00h General presentation about Mass Analytica.
Gabriele Cruciani & Ismael Zamora. Molecular Discovery & Lead Molecular Design.

15.30h ONIRO: an efficient tool for Biotransformation studies.
Christophe Bouillod. Servier

16.00h How we use MassMetaSite and ONIRO in metabolite identification work at AstraZeneca, Gothenburg
Anja Ekdahl – AstraZeneca

16.30h Use of ONIRO
Virginie Gosselin – Sanofi

17.00h Roche/Biotransformation group
Bernd Steinhuber. F.Hoffmann La-Roche

17.30h Strategy for elucidation of VHH constructs (NANOBODY®)
Sabrina Schmeier – Sanofi

18.00h Harmonizing Discovery Workflows between Waters and Molecular Discovery
Russell Mortishire-Smith and David Heywood – Waters

Thursday 13th October

09.00h HRMS based Quantitation enabled through Automated Data Processing
Kevin Bateman – Merck

09.30h Quantification studies in ADME
Ismael Zamora. Lead Molecular Design

10.30h Macromolecule degradation studies
Fabien Fontaine / Luca Morettoni. Lead Molecular Design / Molecular Discovery

11.30h EAD vs CID Fragmentation for Small Molecule and their Metabolites
Christopher Kochansky – Exelisis

12.00h Benefits & challenges of software aided MetID
Christine Maurer – Merck Group

14.30h Lipostar 2 (the present) & MARS (on the way)
Laura Goracci. Molecular Discovery

15.00h In-depth and high throughput lipidomics solutions with Lipostar
Michele Wölk. Technische Universität Dresden

15.30h Add spatial dimension to your omics and metID: LipostarMSI and Pyxis for mass spec imaging data analysis”
Sara Tortorella. Molecular Horizon

16.00h Towards multimodal mass spectrometry analysis for cancer pathology assessment: current progress and unmet need.
Arash Zarrine. University of Toronto

16.30h How we use LipostarMSI and Pyxis at M4i and where to go from here
Tim Hendriks – Maastricht MultiModal Molecular Imaging Institute (M4i), The Netherlands

Friday 14th October

09.00h Compound Library: Model building
Ismael Zamora

9:30h Fase 2: Metabolism prediction
Gabriele Cruciani

10,30h Roundtable discussion