オーラルセッション
- 第3日 5月17日(木) 17:35~17:55 B会場(星雲1)
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3B-O3-M-1735 PDF
マスフラグメント・中性ロスデータベースを用いた液体クロマトグラフィー/高分解能質量分析によるノンターゲット環境分析
We introduce a provisional mass fragment and neutral loss database for structural analysis of environmental contaminants, which was constructed by empirical analysis of accurate mass spectra of small molecules with variable structures.Up to now, we analyzed 345 of accurate mass spectra of environmental interest and created the provisional database containing 2383 of precursor ions, product ions and neutral losses.In the database, structures or suspected structures of the precursor ions, product ions and neutral losses are written in “unique SMILES” as well as those formula and exact masses.