This data publication contains the mass spectrometry chemical characterization of microplastic and nanoplastic chemical analysis. The data from this study includes mass spectra of pure, mixed, and weathered microplastics and nanoplastics at high and low fragmentation, extracted ion chronograms, Kendrick mass defect plots, code, and the derived and processed data. The data analysis code (MATLAB 2022a*) used for unsupervised learning of cluster and compositional relationships is also included. The code employs principal component analysis for dimensionality reduction, learns the resulting datasets' latent dimensionality, and completes Gaussian mixture modeling and fuzzy c-means clustering.

*Any mention of commercial products is for information only; it does not imply recommendation or endorsement by NIST.