Table 2.
The name, CAS number, chemical formula, and the mass-to-charge ratio (m/z) as measured in the LTQ-Orbitrap (assumed to be [M + H]+) of the identified and confirmed compounds present in EDA sediment, as well as the limit of detection (LOD, μg/L) and mass tolerance (ppm) established in the sample. Androgenic and anti-androgenic potency are expressed as dihydrotestosterone (DHT) and flutamide (FLU) equivalence factors (EF), respectively, for the AR-CALUX® on a molar basis (Reference EC50/Compound EC50)
| Compound | CAS number | Molecular formula | [M + H]+ (m/z) | LOD (μg/L) | Mass tolerance (ppm) | DHT EF | FLU EF |
|---|---|---|---|---|---|---|---|
| 7 H-Benz[de]anthracen-7-one | 82-05-3 | C17H10O | 231.0806 | 20 | 0.9 | 1.4E-02 | |
| Galoxolide | 1222-05-5 | C18H26O | 259.2058 | 20 | 0.8 | 3.9E-01 | |
| Tonalide | 1506-02-1 | C18H26O | 259.2058 | <20 | 1.2 | 3.2E-01 | |
| Traseolide | 68140-48-7 | C18H26O | 259.2058 | <20 | 0.8 | 2.2E-01 | |
| Tris-(2-chloroisopropyl) phosphate | 13674-84-5 | C9H18Cl3O4P | 327.0082 | <20 | 0.3 | 2.0E-04 | |
| Tris-(2-ethylhexyl) phosphate | 78-42-2 | C24H51O4P | 435.3591 | <20 | 3.0 | 1.7E-02 | |
| Nandrolone | 434-22-0 | C18H26O2 | 275.2004 | <20 | 0.7 | 1.2E-01 | |
| 5α-Androst-16-en-3-one | 18339-16-7 | C19H28O | 273.2215 | 630 | 2.2 | 1.0E-15 | 7.7E + 00 |