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研究生: 吳冠宏
Wu, Guan-Hong
論文名稱: 利用 LC-MS/MS 與計算模擬反應技術進行溶劑雜質的非標靶鑑定
Non-targeted Identification of Impurities in Solvents by LC-MS/MS and In Silico Reaction
指導教授: 陳淑慧
Chen, Shu-Hui
學位類別: 碩士
Master
系所名稱: 理學院 - 化學系
Department of Chemistry
論文出版年: 2025
畢業學年度: 113
語文別: 中文
論文頁數: 125
中文關鍵詞: 非標靶分析溶劑雜質液相層析-串聯質譜
外文關鍵詞: Non-targeted analysis, solvent impurities, LC-MS/MS
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  • 中文摘要 I Abstract II 致謝 VII 目錄 VIII 表目錄 XII 圖目錄 XII 第一章 背景介紹 1 1.1非標靶分析(Non-targeted Analysis) 1 1.2非標靶分析的應用 3 1.3質譜儀 4 第二章 研究動機 6 第三章 實驗方法 7 3.1實驗藥品 7 3.2實驗儀器 9 3.3實驗流程 10 3.3.1 Blank-Subtracted Dilution Workflow 10 3.3.2 Blank-Subtracted Chromatogram Workflow 11 3.3.3 Linearity test 12 3.3.4 Injection solvent條件 13 3.3.5 LC(C18)-MS(MRM)條件 13 3.4 計算MS1及MS2 Score 14 3.5 Database 15 3.6 CFM-ID 16 第四章 結果與討論 17 4.1 各溶劑Blank-Subtracted Dilution的結果 17 4.1.1 MeOH 17 4.1.2 EtOH 21 4.1.3 IPA 25 4.1.4 ddH2O 28 4.1.5 ACN 32 4.1.6 Acetone 36 4.1.7 DMSO 40 4.1.8 FA 44 4.1.9 AA 48 4.1.10 TFA 52 4.2 各溶劑Blank-Subtracted Chromatogram的結果 56 4.2.1 DMSO 56 4.2.2 FA 61 4.2.3 AA 64 4.2.4 TFA 67 4.3 各溶劑的正負電表格 70 4.4 Validation 75 第五章 結論 77 第六章 參考文獻 78 附錄 82 正電模式溶劑理論質譜表 82 丙酮 (Acetone) 82 乙酸 (Acetic Acid) 83 乙腈 (Acetonitrile) 84 二甲基亞碸 (Dimethyl Sulfoxide) 85 H2O (Milli-Q water) 86 乙醇 (Ethanol) 87 甲酸 (Formic Acid) 88 甲醇 (Methanol) 89 異丙醇 (2-Propanol) 90 三氟乙酸 (Trifluoroacetic Acid) 91 負電模式溶劑理論質譜表 92 丙酮 (Acetone) 92 乙酸 (Acetic Acid) 93 乙腈 (Acetonitrile) 94 二甲基亞碸 (Dimethyl Sulfoxide) 95 雙重蒸餾水 (Double-Distilled Water) 96 乙醇 (Ethanol) 97 甲酸 (Formic Acid) 98 甲醇 (Methanol) 99 異丙醇 (2-Propanol) 100 三氟乙酸 (Trifluoroacetic Acid) 101 溶劑可能的副產物表格 102 丙酮 (Acetone) 102 乙酸 (Acetic Acid) 103 二甲基亞碸 (Dimethyl Sulfoxide) 104 乙醇 (Ethanol) 105 甲酸 (Formic Acid) 106 甲醇 (Methanol) 107 異丙醇 (2-Propanol) 107

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