Open access
Sep 2026
CCSBase2: A Unified Benchmark Dataset and Machine Learning Framework for Robust CCS Prediction
The identification of unknown analytes remains a persistent challenge in untargeted mass spectrometry-based analyses. Ion mobility–mass spectrometry (IM-MS) has expanded identification capabilities by enabling the use of collision cross section (CCS) as an orthogonal molecular identifier, but experimentally measured...
A. Bantwal, R. Santoso, Ryan Nguyen et al.
· Analytical Chemistry · 3 citations