NIST Mass Spectral Libraries in the Context of the Circular Economy of Plastics

The Mass Spectrometry Data Center (MSDC) has recently
started improving
existing libraries and creating new ones for identifying and analyzing
plastics-related compounds (PRC) and materials (PRM) as part of the
NIST circular economy program. PRC are small molecules of dissimilar
chemical nature; hence, to increase coverage, we have used three types
of ionizations: EI, ESI, and APCI. PRM are solids that include polymers,
polymer mixtures, and commercial plastics, so we have used pyrolysis-gas
chromatography (py-GC-MS) to create a new searchable library. First,
we have increased the coverage of the existing libraries by including
as many as possible commercially available PRC. Then, for testing
the libraries and to deconvolute complex PRM mixtures, we have analyzed
extractable and leachable (E&L) samples and pyrolysis products
from one hundred standards of the most common polymers and some of
their mixtures using LC-MS/MS, GC-MS, and py-GC-MS. In collaboration
with the FDA, the EPA, and other non-government institutions, we are
applying techniques, libraries, and tools to areas of interest to
the circular economy of plastics, health risk assessments, and environmental
challenges.