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Exploring and identifying unknowns by using high resolution mass spectrometry and maltivariable analysis

Research Project

Project/Area Number 15H02853
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Environmental risk control and evaluation
Research InstitutionKagoshima University

Principal Investigator

TAKANASHI Hirokazu  鹿児島大学, 理工学域工学系, 准教授 (40274740)

Co-Investigator(Renkei-kenkyūsha) UEDA Takehiko  鹿児島大学, 理工学域工学系, 准教授 (80293893)
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
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)
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
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.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • Research Products

    (5 results)

All 2017 2016 2015

All Presentation (5 results)

  • [Presentation] 高分解能LC/MSと多変量解析を用いたtrans- 1,3-ジクロロプロペン塩素処理物中の変異原性物質の探索2017

    • Author(s)
      高梨啓和、浜 知宏、中島常憲、大木 章、上田岳彦、松下 拓、亀屋隆志
    • Organizer
      第26回環境化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 高分解能LC-MS、LC-IMS-MSおよび多変量解析を用いた未知環境汚染物質の探索2016

    • Author(s)
      高梨啓和、中島常憲、大木 章、上田岳彦
    • Organizer
      日本質量分析学会第64回質量分析総合討論会
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府・吹田市)
    • Year and Date
      2016-05-18
    • Related Report
      2016 Annual Research Report
  • [Presentation] 高分解能LC-MSおよび多変量解析を用いた土壌燻蒸剤DD塩素処理物中の未知変異原性物質の同定2016

    • Author(s)
      高梨啓和、阿比留和也、浜 知広、中島常憲、大木 章、上田岳彦、近藤貴志、松下 拓、亀屋隆志
    • Organizer
      日本質量分析学会第64回質量分析総合討論会
    • Place of Presentation
      ホテル阪急エキスポパーク(大阪府・吹田市)
    • Year and Date
      2016-05-18
    • Related Report
      2016 Annual Research Report
  • [Presentation] 多変量解析と高分解能質量分析による変異原の探索2015

    • Author(s)
      高梨啓和、浜 知広、中島常憲、大木 章、上田岳彦、亀屋隆志、近藤貴志、松下 拓
    • Organizer
      環境科学会2015年会
    • Place of Presentation
      大阪大学吹田キャンパス(大阪府・吹田市)
    • Year and Date
      2015-09-07
    • Related Report
      2015 Annual Research Report
  • [Presentation] UPLC-ESI-TOFMS と多変量解析を用いた3-methyl-4-nitrophenol塩素処理物中の変異原の探索2015

    • Author(s)
      高梨啓和、浜 知広、中島常憲、大木 章、上田岳彦
    • Organizer
      日本質量分析学会第63回質量分析総合討論会
    • Place of Presentation
      つくば国際会議場(茨城県・つくば市)
    • Year and Date
      2015-06-17
    • Related Report
      2015 Annual Research Report

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Published: 2015-04-16   Modified: 2025-11-17  

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