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Molecular Discovery at the ASMS 2015

ASMS 2015

Molecular Discovery participated at the ASMS2015 in St Louis presenting 6 posters and one oral presentation during.

  1. Utilization of MassMetaSite for in vitro and in vivo Metabolite Identification of Complex Therapeutic Peptides. Heather Trexler1; Kevin Bateman1; Richard Gundersdorf1; Fabien Fontaine2; Rodger Tracy1; Kenneth Koeplinger1; Ismael Zamora1; Mark Cancilla1 1Merck & Co., West Point, PA; 2Lead Molecular Design, S.L., Sant Cugat Del Valles, Spain; Molecular Discovery, Middlesex, UK. (MOH am 08:50 - Oral Presentation)
  2. High Resolution Mass Spectrometry with Automated Data Analysis to Support Late Stage Functionalization; Yong Liu1; Fabien Fontaine2; Huifang Yao1; Ismael Zamora2;Roy Helmy1; Shane Krska1; Kevin Bateman3; 1Merck & Co.,Inc., Rahway, NJ; 2 Molecular Discovery, Barcelona, Spain; 3Merck & Co., West Point, PA. (MP 234 - Poster Presentation)
  3. Development of an Algorithm for the Structure Elucidation of Unknown Small Molecules Drugs; Tatiana Radchenko1 ; Fabien Fontaine2,3; Ismael Zamora2; 1 University Pompeu Fabra, BARCELONA, SPAIN; 2 Lead Molecular Design S.L., Sant Cugat de Valles, Spain; 3 Molecular Discovery, London, UK. (TP 222 - Poster Presentation)
  4. MassMetasite and Webmetabase for Metabolite Profiling of Radiolabeled Samples: Automation of Data Analysis in Development Studies; Ismael Zamora1 ; Fabien Fontaine 2; Blanca Serra2; Caroline Woodward3; Natasha Penner3; 1 Lead Molecular Design, S.L., Sant Cugat Del Valles, SPAIN; 2 Molecular Discovery, Ltd, London, UK; 3 Biogen Idec, Cambirdge, MA. (TP 224 - Poster Presentation)
  5. Structural Alerts in Reactive Metabolites (RM): a GSH Trapping Approach; Esra Nurten Cece1; FabienFontaine2; Guillem Plasencia2; Marieke Teppner3; Andreas Brink3; Axel Paehler3 ; Ismael Zamora4; 1Pompeu Fabra University, Barcelona, Spain; 2 Molecular Discovery, London, UK; 3 Hoffmann-La Roche Ltd., Basel, Switzerland; 4 Lead Molecular Design, Sant Cugat del Vallés, Spain. (ThP 235 - Poster Presentation)
  6. High-Throughput Soft Spot Identification with SWATH–MS and MassMetasite: Untargeted Data Acquisition and Automatic Data Processing; Ismael Zamora1, 3; FabienFontaine1, 2; Natasha Penner4; 1Lead Molecular Design,S.L., Sant Cugat Del Valles, Spain; 2Molecular Discovery,London, UK; 3 Pompeu Fabra University, Barcelona, Spain; 4 Biogen-Idec, Cambridge, MA. (ThP 241 - Poster Presentation)
  7. Ion Mobility Data in Metabolite Identification: A MassMetaSite Approach; Ismael Zamora1; Kevin Bateman3;Fabien Fontaine4; Russell Mortishire2; Ian McIntosh3; 1Lead Molecular Design, S.L., Sant Cugat Del Valles,SPAIN; 2Waters Corp, Milford, MS; 3Merck, West Point, PN; 4Molecular Discovery, London, UK. (ThP 647 - Poster Presentation)