Discerning\nEmittable from Extractable Chemicals Identified\nin Consumer Products by Suspect Screening GCxGC-TOFMS

Characterization\nof chemicals in household products is important\nfor understanding this potential source of chemical exposure. Increasingly,\nsuspect screening and nontargeted analysis techniques are used to\ncharacterize as many chemical signatures as possible. Solids such\nas household products are most conveniently prepared using solvent\nextraction, revealing what chemicals are contained within the product\nmatrix but providing no information about the potential of those chemicals\nto leave the matrix and cause actual exposure. In this work, the profile\nand relative abundances of “extractable” chemical signatures\nfound after solvent extraction are compared to those “emittable”\nto the headspace for 81 household products analyzed by two-dimensional\ngas chromatography time-of-flight mass spectrometry. This study retrospectively\nfuses data collected in separate efforts over 3.8 years and 13 analytical\nbatches. Management of the data is made possible by recent developments\nin processing systems for complex data such as Highlight. Compounds\nwere generically classified as aromatic heteroatom, aromatic hydrocarbon,\nglycol, hydrocarbon, long chain heteroatom, nonaromatic heteroatom,\nand unknown/unclassified. Class-based retention time and abundance\ntrends were observed. Liquid extraction resulted in the greatest number\nof features and the highest relative abundances, while low temperature\nemission conditions produced the smallest number of features and lowest\nrelative abundances.