Table 2.
List of annotated chemicals matched to NHANES surveyed chemicals, reproductive toxicants, and personal care product libraries.
| Chemical Class | Chemical Analyte | Confidence Levela |
|---|---|---|
| PFAS | Perfluoroheptanoic acid (PFHpA) | Level 1 |
| Perfluorohexane sulfonic acid (PFHxS) | Level 1 | |
| Perfluorooctanoic acid (PFOA) | Level 1 | |
| Perfluorononanoic acid (PFNA) | Level 1 | |
| Perfluorooctane sulfonic acid (PFOS) | Level 1 | |
| Perfluorodecanoic acid (PFDA) | Level 1 | |
| Pesticides, herbicides, fungicides | Ethylene thiourea | Level 4 |
| Nitrobenzene | Level 4 | |
| para-Nitrophenol | Level 4 | |
| 1-Hydroxynaphthalene (1-Naphthol) | Level 4 | |
| Diethylphosphate (DEP) | Level 4 | |
| 2,4-Dichlorophenol | Level 4 | |
| Desisopropyl atrazine | Level 4 | |
| Desethyl atrazine | Level 4 | |
| N,N-Diethyl-meta-toluamide (DEET) | Level 1 | |
| 3,5,6-Trichloro-2-pyridinol | Level 4 | |
| 3-Phenoxybenzoic acid | Level 4 | |
| 2,4-Dichlorophenoxyacetic acid | Level 4 | |
| Pentachlorophenol | Level 4 | |
| Thiacloprid | Level 1 | |
| Plasticizers | Fenthion | Level 4 |
| 1,2-Dichloroethane (Ethylene dichloride) | Level 4 | |
| Benzonitrile | Level 4 | |
| m-Xylene | Level 4 | |
| Dimethyl phthalate (DMP) | Level 4 | |
| Mono-butyl phthalate | Level 1 | |
| Bisphenol A | Level 1 | |
| Bisphenol S | Level 1 | |
| Diphenyl phosphate (DPhP) | Level 4 | |
| Mono-benzyl phthalate (MBzP) | Level 4 | |
| Di-n-butyl phthalate (DBP) | Level 4 | |
| Personal care product-related chemicals | Di-n-octyl phthalate (DOP) | Level 4 |
| Diethanolamine (DEA) | Level 4 | |
| 4-Nitro-12-phenylenediamine (Coal tar dyes) | Level 4 | |
| Hexamethyldisiloxane | Level 4 | |
| Ethyl paraben | Level 1 | |
| ortho-Phenylphenol | Level 4 | |
| Propyl paraben | Level 1 | |
| Benzophenone | Level 4 | |
| Butyl paraben | Level 4 | |
| Octylphenol | Level 1 | |
| Dibutyl phosphate (DBuP) | Level 4 | |
| Hexamethylcyclotrisiloxane | Level 4 | |
| HHCB | Level 4 | |
| 11,335,577-Octamethyltetrasiloxane | Level 4 | |
| Retinol | Level 4 | |
| Enterolactone | Level 4 | |
| Flame retardants | Retinoic acid | Level 4 |
| Dimethylphosphate (DMP) | Level 4 | |
| Tris(2-chloropropyl) phosphate | Level 1 | |
| Tricresyl phosphate | Level 1 | |
| Tobacco or nicotine-related chemicals | Glycidamide | Level 4 |
| 2,5-Dimethylfuran | Level 4 | |
| Cotinine | Level 4 | |
| NNAL | Level 4 | |
| Synthetic hormones | Diethylstilbesterol (DES) | Level 4 |
| Ethinyl estradiol | Level 4 | |
| Food preservatives, additives, or supplements | Limonene | Level 4 |
| Butylated hydroxytoluene (BHT) | Level 4 | |
| Equol | Level 4 | |
| Retinyl acetate | Level 4 |
a
Confidence levels assigned according to Schymanski et al., 2014 (Segal and Giudice, 2019). Level 1 identifications were confirmed by comparing accurate mass m/z and retention time to authentic standards run using identical analytical parameters. Level 4 annotations were assigned by accurate mass matching; the resulting structures corresponding to a given formula were then ranked by number of PubMed references, and the top compound is given.