Nontarget
analysis of nonvolatile substances in complex samples
is a very challenging task that requires powerful analytical techniques
and experience of analyzing such samples. An extensive study was conducted
in order to identify nonintentionally added substances (NIAS) migrating
from 18 polyethylene (PE) samples intended to be in contact with food.
The migration assays were performed in five simulants and analyzed
by ultrahigh-performance liquid chromatography (UPLC) coupled to an
ion-mobility separation (IMS) quadrupole-time-of-flight (QTOF) mass
spectrometer. This experimental setup provides a novel and powerful
tool for this type of nonvolatile and nontargeted analysis. Thirty-five
compounds were identified, 17 of which were NIAS. Methyl and ethyl
3-(3,5-di-tert-butyl-4-hydroxyphenyl) propanoate
were found to be degradation products of either Irganox 1010 or Irganox
1076. Additionally, breakdown products including hexa-heptadecanamide, N,N′-1,2-ethanediylbis- and 11-eicosenamide
were identified together with impurity reaction products, e.g., dibutyl
amine or compounds of unknown origin like phosphine oxide, tributyl-.
Forty-five percent of the detected compounds are in the positive list
contained in Regulation 10/2011/EU, and their migration values were
below their specific migration limits. The risk assessment for the
rest of the compounds was carried out by comparing their migration
values to the maximum concentration recommended by Cramer, e.g., ethyl
3-(3,5-di-tert-butyl-4-hydroxyphenyl) propanoate
and benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,
1,1′-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester (both class
II toxicity), heptadecanamide, N,N′-1,2-ethanediylbis-, and phosphine oxide, tributyl- (both
class III toxicity) were above the maximum concentration values for
three samples that were migrated to ethanol 95%, and therefore, these
samples are not suitable for food contact. The analytical tools and
procedures used in this study are presented and discussed in detail.