Table 1. CCS Values of Emerging Contaminants Published between 2016 and 2022a.
| compound type | year | type | number of CCS | remarks | ref |
|---|---|---|---|---|---|
| pesticides | 2016 | TWCCSN2 | 214 | CCS was measured in positive electrospray ionization mode; some CCS values were from the in-source fragments of molecules | (33) |
| pesticides | 2017 | TWCCSN2 | 205 | only the CCS values of protonated molecules were measured | (46) |
| pesticides | 2022 | TWCCSN2 | 110 | only the CCS values of protonated molecules were measured | (47) |
| drug-like compounds and pesticides | 2016 | DTCCSN2 | 61 | more than 500 standards including drug-like compounds and pesticides were detected; only a limited number of CCS values were disclosed | (48) |
| drug or drug-like molecules | 2017 | TWCCSN2 | 1416 | CCS values of multiply charged ions were not retrieved | (34) |
| pharmaceuticals, drugs of abuse, and their metabolites | 2018 | TWCCSN2 | 357 | only the CCS values of protonated molecules were measured | (49) |
| human and veterinary drugs | 2018 | TWCCSN2 | 173 | CCS values were measured under positive ionization conditions | (50) |
| abused drugs and toxic compounds | 2018 | DTCCSN2 | 124 | only the CCS values of protonated molecules were measured | (51) |
| drugs | 2021 | TWCCSN2 | 3225 | CCS values of both cations and anions | (52) |
| antiepileptic drugs | 2020 | DTCCSN2 | 13 | only the CCS values of protonated molecules were measured | (53) |
| pharmaceutical metabolites | 2021 | TWCCSN2 | 10 | CCS values of 8 [M + H]+ ions and 2 [M – H]− ions | (54) |
| doping agents | 2021 | TWCCSN2 | 176 | CCS values were measured under positive ionization conditions | (55) |
| opioids | 2022 | DTCCSN2 | 33 | only the CCS values of protonated molecules were provided | (56) |
| PAHs, PCBs, PBDEs, and their metabolites | 2018 | DTCCSN2 | 138 | compounds ionized by different ion sources | (57) |
| pesticides, PAHs, PCBs, flame retardants | 2022 | TWCCSN2 | 236 | some CCS values were not disclosed in Supporting Information | (58) |
| PFAS, PAHs, PCBs, PBDEs | 2022 | DTCCSN2 | 202 | PAHs were detected in positive ionization mode; other compounds in negative ion mode | (59) |
| PFAS | 2020 | DTCCSN2 | 39 | CCS values were measured in negative mode | (22) |
| mycotoxins | 2020 | TWCCSN2 | 207 | interlaboratory and interplatform reproducibility were evaluated | (32) |
| steroids | 2020 | TWCCSN2 | 173 | interlaboratory and interplatform reproducibility were evaluated | (30) |
| pollutants in indoor dust: flame retardants, pesticides | 2020 | TWCCSN2 | 45 | CCS values of some adducts were not disclosed | (60) |
| CECs in human matrix, including bisphenols, plasticizers, OPFRs, and triazoles | 2021 | DTCCSN2 | 240 | 71 CCS values of dimers were not retrieved | (20) |
| chemicals in plastic food packaging, including antioxidants, plasticizers, UV absorbers, lubricants, and NIAS | 2022 | TWCCSN2 | 1056 | 1038 CCS published values with 18 newly measured CCS values | (35) |
| organic environmental pollutants, including illicit drugs, hormones, mycotoxins, new psychoactive substances, pesticides, and pharmaceuticals | 2020 | TWCCSN2 | 956 | 970 different adducts from 556 compounds | (21) |
a
Abbreviations: PFAS, per- and polyfluoroalkyl substances; PAHs, polycyclic aromatic hydrocarbons; PCBs, polychlorinated biphenyls; PBDEs, polybrominated diphenyl ethers; CECs, contaminants of emerging concern; NIAS, non-intentionally added substances; OPFRs, organophosphate flame retardants.