MS/MS Mass Spectrometry Filtering Tree for Bile Acid Isomer Annotation.
Ipsita Mohanty, Shipei Xing, Vanessa Castillo, Julius Agongo, Abubaker Patan, Yasin El Abiead, Helena Mannochio-Russo, Simone Zuffa, Jasmine Zemlin, Alexandre Tronel, Audrey Le Gouëllec, Thomas Soranzo, Crystal X. Wang, Jennifer E. Iudicello, Mohammad Sobhan Sheikh Andalibi, , Pieter C. Dorrestein
This paper introduces a mass spectrometry filtering tree to distinguish bile acid isomers in LC-MS/MS data and identifies a novel deoxycholyl-2-aminophenol amidate linked to whole grain consumption.
bioRxiv · Mar 4, 2025 · PreprintBioinformatics