Nontargeted analysis and comparison strategies for volatile and semivolatile substances in toys made of different materials

Abstract

A nontargeted broad-spectrum analysis method for unknown volatile and semivolatile substances in toys was established by gas chromatography–Orbitrap high-resolution mass spectrometry. Based on the NIST spectrum library, unknown substances could be accurately identified by comprehensive scoring, retention index, chemical ionization, and fine comparison of ion fragments. For substances not included in the library, the molecular formulas of unknown substances were retrieved through online compound databases. Possible structural formulas were verified by high-resolution spectra and fragmentation mechanisms. Taking teether toys as an example, the substances differences of products made of different materials were compared through the digitization of chemical composition. Specifically, 59 substances were identified in 50 teether toys. The toys made of two different materials each had their own substance distribution, and the types and quantities of substances in thermoplastic polyurethanes samples were more than those in silicone samples. Substances with high risk included phenol, N-methylaniline, cyclohexanone, and 4-tert-amylphenol. This work can serve as a reference for the identification of unknown substances in toys and other products, as well as for the comparison the chemical composition of products made of different materials. Thus, this work has positive significance in promoting the quality and safety of toys and reducing chemical harm to children.