A method for elucidating unknowns by coupling traveling wave ion mobility spectrometry and the trajectory method
| Project/Area Number |
16K12636
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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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(Kenkyū-buntansha) |
上田 岳彦 鹿児島大学, 理工学域工学系, 准教授 (80293893)
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| Project Period (FY) |
2016-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2017: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 高分解能質量分析 / イオン移動度 / 軌道法 / 構造推定 / 農薬 / 変化体 / 環境分析 / 水質汚濁・土壌汚染防止・浄化 |
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| Outline of Final Research Achievements |
A method for structure elucidation of unknowns was developed by coupling traveling wave ion mobility spectrometry (TWIMS) and the trajectory method. If a simulated collision cross section (CCS) value of an assumed structure of an unknown agrees with that observed with the TWIMS, the assumed structure will be correct. (RS)-Dinotefuran and five fused rings were used as model compounds. The CCS values of them were determined with a LC-ESI-TWIMS-TOFMS (Synapt G2 Si HDMS, Waters, USA). The simulated CCS values with the trajectory method were agreed with the determined values. So the developed method was applied for elucidation of an unknown. It was prepared by irradiating (RS)-dinotefuran with UV light. No significant difference of the simulated CCS values was observed among isomers of the unknown. But by derivatizing the unknown, significant differences in the simulated values were observed except for two isomers of the unknown.
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Report
(3 results)
Research Products
(9 results)
