{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Xie J"],"funding":["The National Key Research and Development Program of China","National Natural Science Foundation of China"],"pagination":["3765"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10180504"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["28(9)"],"pubmed_abstract":["Although dicofol has been widely banned all over the world as a kind of organochlorine contaminant, it still exists in the environment. This study developed a high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS/MS) detection technique for dicofol, an environmental pollutant, for the first time using in-source fragmentation. The results confirmed that <i>m</i>/<i>z</i> 251 was the only precursor ion of dicofol after in-source fragmentation, and <i>m</i>/<i>z</i> 139 and <i>m</i>/<i>z</i> 111 were reasonable product ions. The main factors triggering the in-source fragmentation were the H<sup>+</sup> content and solution conductivity when dicofol entered the mass spectrometer. Density functional theory can be used to analyze and interpret the mechanism of dicofol fr"],"journal":["Molecules (Basel, Switzerland)"],"pubmed_title":["Spontaneous In-Source Fragmentation Reaction Mechanism and Highly Sensitive Analysis of Dicofol by Electrospray Ionization Mass Spectrometry."],"pmcid":["PMC10180504"],"funding_grant_id":["32072466","2021YFD1700300"],"pubmed_authors":["Liu X","Zheng Y","Guo Y","Zhu L","Xie J","Jiang H","Ma Y","Zhang L","Mao L"],"additional_accession":[]},"is_claimable":false,"name":"Spontaneous In-Source Fragmentation Reaction Mechanism and Highly Sensitive Analysis of Dicofol by Electrospray Ionization Mass Spectrometry.","description":"Although dicofol has been widely banned all over the world as a kind of organochlorine contaminant, it still exists in the environment. This study developed a high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS/MS) detection technique for dicofol, an environmental pollutant, for the first time using in-source fragmentation. The results confirmed that <i>m</i>/<i>z</i> 251 was the only precursor ion of dicofol after in-source fragmentation, and <i>m</i>/<i>z</i> 139 and <i>m</i>/<i>z</i> 111 were reasonable product ions. The main factors triggering the in-source fragmentation were the H<sup>+</sup> content and solution conductivity when dicofol entered the mass spectrometer. Density functional theory can be used to analyze and interpret the mechanism of dicofol fr","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Apr","modification":"2025-04-26T17:23:46.642Z","creation":"2025-04-06T15:29:43.139Z"},"accession":"S-EPMC10180504","cross_references":{"pubmed":["37175171"],"doi":["10.3390/molecules28093765"]}}