Target and Suspect Screening for Organic Additives in Six Classifications of Personal Care Products Using Liquid Chromatography-High-Resolution Mass Spectrometry.

Abstract

Personal care products (PCPs) are integral components of daily human existence, including a large number of chemicals intentionally added for functional attributes (e.g., preservatives and fragrances) or unintentionally present, such as plasticizers. This investigation aimed to optimize the methodology for target and suspect screening via liquid chromatography-high-resolution mass spectrometry, focusing on nine prevalent organic additives (comprising bisphenols A, F, and S, methyl, ethyl, propyl, and butylparaben, 5-chloro-2-methyl-4-isothiazolin-3-one, and 4-hydroxybenzoic acid). A total of 50 high-selling PCPs were purchased from the local online market as samples. In detail, PCP samples were classified into body washes, shampoos, hair conditioners, facial cleansers, body lotions, and moisture creams. For calibration, the quality assurance and quality control results demonstrated a coefficient of determination (R2) surpassing 0.999, with detection and quantification limits ranging from 2.5 to 100.0 ng/g. For recovery experiments, replicate recoveries (n = 5) ranged from 61 to 134%. In purchased PCP samples, five of the nine target compounds were detected via a target screening. Methylparaben exhibited the highest concentration (7860 mg/kg) in a facial cleanser, which is known as an endocrine-disrupting chemical. A total of 248 suspects of organic additives were screened in PCPs, leading to a tentative identification of 9. Confirmation (confidence level 1) via reference standards was achieved for three suspects, while six were tentatively identified with a confidence level of 2. This two-step extraction methodology utilizing methyl tert-butyl ether and isopropyl alcohol enabled simultaneous analysis of diverse chemical groups with distinct properties.