Exploring and identifying unknowns by using high resolution mass spectrometry and maltivariable analysis
| Project/Area Number |
15H02853
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Environmental risk control and evaluation
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| Research Institution | Kagoshima University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
UEDA Takehiko 鹿児島大学, 理工学域工学系, 准教授 (80293893)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥14,820,000 (Direct Cost: ¥11,400,000、Indirect Cost: ¥3,420,000)
Fiscal Year 2017: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2016: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2015: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000)
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| Keywords | 高分解能質量分析 / 多変量解析 / 構造推定 / 農薬 / 塩素処理 / 変化体 / 環境分析 / 水質汚濁・土壌汚染防止 / 高分解能LC/MS |
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| Outline of Final Research Achievements |
A method for picking up a major MS peak from a great number of detected peaks was developed because liquid chromatograph-high resolution mass spectrometers (LC-HRMS) provide many peaks which were consisted of those of impurities and proper substances. First, a model sample was prepared by spiking known mutagens. The substances in the sample were analyzed by using a LC-HRMS. The obtained results were analyzed with the orthogonal partial least squares regression analysis, the correlation analysis and the multiple linear regression analysis to explore the spiked mutagens from the detected many substances. By coupling LC-HRMS analyses and the multivariable analyses, a proper substance which characterizes a sample property (mutagenicity) was successfully uncovered. Second, the developed method was applied to a nematocide DD aqueous solution treated with sodium hypochloride, resulting in identifying 1,3-dichloroaceton, a major mutagen in the solution.
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Report
(4 results)
Research Products
(5 results)
