Identifying Food and Environmental Contaminants using the New NIST High-Res MS/MS Library Search Algorithms and Publicly Available LC/MS/MS Spectral Libraries

Enhanced identity spectrum search with AI/ML confidence scoring for HRAM data Gábor Zsemlye1, Rajesh k. Jha 2, Maria Falaq 2, Juraj Lutišan1, Marynka Ulaszewska3, Samuel Benkovič1, Tim Stratton4, Michal Raab1 1 Thermo Fisher Scientific, Bratislava, Slovakia; 2 Thermo Fisher Scientific,…

LCMS Unknown Identifications Using MSMS Libraries Part III: More Detailed Discussion of MSMS Hybrid Search 12/27/2020 James Little [email protected] https://littlemsandsailing.wordpress.com/ Kingsport, TN Retired* Research Fellow, Eastman Chem. Co. 42 years experience unknown identification Now Consultant, MS Interpretation Services Specialties1 EI…

LCMS Unknown Identifications Using MSMS Libraries Part II: NIST Search Software and Libraries Updated 12/27/20 James Little [email protected] https://littlemsandsailing.wordpress.com/ Kingsport, TN Retired* Research Fellow, Eastman Chem. Co. 42 years experience unknown identification Now Consultant, MS Interpretation Services Specialties1 EI GC-MS,…

Identification of Unknowns by GC-MS and LC-MS Using NIST Search with Commercial and User Libraries James Little Research Fellow, Eastman Chemical Company (41 years) Consultant, Mass Spectral Interpretation Services (4 years) [email protected] https://littlemsandsailing.wordpress.com/ Kingsport, TN ACS Conference, April 8, 2021…