MS/MS Mass Spectrometry Filtering Tree for Bile Acid Isomer Annotation
Year: 2025
Type: preprint
Abstract: Bile acids are essential steroids regulating immunity, nutrient absorption, insulin, appetite, and body temperature. Their structural diversity is vast, but due to spectral similarities, MS/MS spectral matching often fails to resolve isomers. This study introduces a proof-of-concept workflow using a mass spectrometry query language filtering tree that distinguishes isomeric bile acids in untargeted LC-MS/MS data. Its application revealed a deoxycholyl-2-aminophenol amidate linked to whole grain consumption.
Authors: Ipsita Mohanty, Shipei Xing, Vanessa Castillo, Julius Agongo, Abubaker Patan, Yasin El Abiead, Helena Mannochio-Russo, Simone Zuffa, Jasmine Zemlin, Alexandre Tronel, Audrey Le Gouellec, Thomas Soranzo, Crystal X. Wang, Jennifer E. Iudicello, Mohammadsobhan S. Andalibi, Ronald J. Ellis, David J. Moore, Donald R. Franklin, Marta Sala-Climent, Monica Guma, Robin M. Voigt, Rima Kaddaruh-Dauok, Dionicio Siegel, Mingxun Wang, Lee R. Hagey, Pieter C. Dorrestein
Institutions: University of California San Diego, Institut polytechnique de Grenoble, Centre National de la Recherche Scientifique, VetAgro Sup, Translational Innovation in Medicine and Complexity, Université Grenoble Alpes, Centre Hospitalier Universitaire de Grenoble, VA San Diego Healthcare System, Rush University Medical Center, Duke University, University of California, Riverside
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: green
OpenAlex ID: W4408398271