Welcome to NPFAS-MS!

NPFAS-MS is a transfer learning-based multilayer perceptron neural network model designed to predict high-resolution MS/MS spectra for PFAS. This web server provides both structure-to-spectrum prediction and library searching against 31,659 predicted MS/MS spectra, generated by NPFAS-MS from 10,553 PFAS structures in the U.S. EPA and NORMAN databases, for the annotation of PFAS candidates.

NPFAS-MS Workflow Graphic
Please cite:
Chen, Y. C., Wu, H. Y., Zhuang, M. N., Yi, C. M., Wu, W. S., & Liao, P. C. (2026). Enhanced Environmental PFAS Characterization Using a Virtual High-Resolution Mass Spectral Library Generated by Transfer Learning-Based Neural Network. Environmental Science & Technology, 60(24), 17341–17354. https://doi.org/10.1021/acs.est.6c05733