Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment
Twenty-four substances, mainly NIAS, have been tentatively identified in food contact polycarbonate through the application a new, fast, and automated analytical strategy for the investigation of unknowns in food contact materials. Most of the identified compounds were plasticizers, slip agents, ant...
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| Format: | Article |
| Language: | English |
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Wiley
2021-01-01
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| Series: | International Journal of Analytical Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2021/6654611 |
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| author | Vicent Yusà Antonio López Pablo Dualde Olga Pardo Igor Fochi Pablo Miralles Clara Coscollá |
| author_facet | Vicent Yusà Antonio López Pablo Dualde Olga Pardo Igor Fochi Pablo Miralles Clara Coscollá |
| author_sort | Vicent Yusà |
| collection | DOAJ |
| description | Twenty-four substances, mainly NIAS, have been tentatively identified in food contact polycarbonate through the application a new, fast, and automated analytical strategy for the investigation of unknowns in food contact materials. Most of the identified compounds were plasticizers, slip agents, antioxidants, and ultraviolet stabilizers and fragrances, and the majority of them have not been previously identified in PC food contact materials. The workflow setup includes an intelligent data acquisition applied using LC-Orbitrap Tribrid-HRMS (MS3), with an automated data processing using Compound DiscovererTM. To obtain a high confidence identification of unknown substances, a very strict criterion has been established, which comprises exact mass, isotopic profile, MS2 match, retention time, and MS3 match. To check for the safety of the migration from the food contact polycarbonate, a risk assessment was achieved using the threshold of the toxicological concern (TTC) approach. Except for the slip agent hexadecanamide, the compounds tentatively identified do not represent a risk. |
| format | Article |
| id | doaj-art-d13b65c136154498a2150ffe34e0bf94 |
| institution | Kabale University |
| issn | 1687-8760 1687-8779 |
| language | English |
| publishDate | 2021-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Analytical Chemistry |
| spelling | doaj-art-d13b65c136154498a2150ffe34e0bf942025-02-03T01:05:19ZengWileyInternational Journal of Analytical Chemistry1687-87601687-87792021-01-01202110.1155/2021/66546116654611Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety AssessmentVicent Yusà0Antonio López1Pablo Dualde2Olga Pardo3Igor Fochi4Pablo Miralles5Clara Coscollá6Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainFoundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainFoundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainFoundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainThermo Fisher, Rodano, MI, ItalyFoundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainFoundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Av. Catalunya, 21, Valencia 46020, SpainTwenty-four substances, mainly NIAS, have been tentatively identified in food contact polycarbonate through the application a new, fast, and automated analytical strategy for the investigation of unknowns in food contact materials. Most of the identified compounds were plasticizers, slip agents, antioxidants, and ultraviolet stabilizers and fragrances, and the majority of them have not been previously identified in PC food contact materials. The workflow setup includes an intelligent data acquisition applied using LC-Orbitrap Tribrid-HRMS (MS3), with an automated data processing using Compound DiscovererTM. To obtain a high confidence identification of unknown substances, a very strict criterion has been established, which comprises exact mass, isotopic profile, MS2 match, retention time, and MS3 match. To check for the safety of the migration from the food contact polycarbonate, a risk assessment was achieved using the threshold of the toxicological concern (TTC) approach. Except for the slip agent hexadecanamide, the compounds tentatively identified do not represent a risk.http://dx.doi.org/10.1155/2021/6654611 |
| spellingShingle | Vicent Yusà Antonio López Pablo Dualde Olga Pardo Igor Fochi Pablo Miralles Clara Coscollá Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment International Journal of Analytical Chemistry |
| title | Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment |
| title_full | Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment |
| title_fullStr | Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment |
| title_full_unstemmed | Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment |
| title_short | Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS3: Safety Assessment |
| title_sort | identification of 24 unknown substances nias ias from food contact polycarbonate by lc orbitrap tribrid hrms ddms3 safety assessment |
| url | http://dx.doi.org/10.1155/2021/6654611 |
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