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Energy-resolved tandem mass spectrometry and ion mobility spectrometry for identification and isomer differentiation

Research Project

Project/Area Number 25513011
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field オミクス計測科学
Research InstitutionInstitute of Physical and Chemical Research

Principal Investigator

Nakamura Takemichi  国立研究開発法人理化学研究所, 環境資源科学研究センター, 専任研究員 (10360611)

Co-Investigator(Renkei-kenkyūsha) TAKAHASHI Shunya  国立研究開発法人理化学研究所, 環境資源科学研究センター, 専任研究員 (00202151)
Project Period (FY) 2013-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2015: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords異性体識別 / フラグメンテーション / 衝突活性化 / エネルギー分解法 / タンデム質量分析法 / オミクス計測科学 / ジアステレオマー / isomer differentiation / tandem mass spectrometry / collision energy / diastereomer / fragmentation / energy-resolved MS/MS / CID MS/MS / isomer / ion mobility / 質量分析 / 閾値エネルギー / MS/MS / 異性体 / イオン移動度 / エネルギー分解
Outline of Final Research Achievements

We have shown that breakdown diagrams obtained by energy-resolved tandem mass spectrometry (ER-MS/MS) experiments are useful for identification of small organic molecules and differentiation of isomers including diastereomers, such as Thr and allo-Thr, as well. The established ER-MS/MS method is based on intentional observation of energy dependence in fragmentation chemistries and fast and sensitive enough to be used in the context of omics molecular identification. Our strategy would leads to an innovation in molecular identification in future omics sciences where isomer differentiation will become an even bigger challenge under mass imaging, single cell analysis, and/or ambient in situ ionization setups where no chromatography is available.

Report

(5 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (14 results)

All 2016 2015 2014 2013

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Presentation (11 results) (of which Int'l Joint Research: 1 results,  Invited: 7 results) Book (1 results)

  • [Journal Article] Fragmentation patterns of methyloxime-trimethylsilyl derivatives of constitutive mono- and disaccharide isomers analyzed by gas chromatography/field ionization mass spectrometry2015

    • Author(s)
      Takeshi Furuhashi, Keisuke Ishii, Kazuo Tanaka, Wolfram Weckwerth, Takemichi Nakamura
    • Journal Title

      Rapid Commun. Mass Spectrom.

      Volume: 29 Issue: 3 Pages: 238-246

    • DOI

      10.1002/rcm.7105

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Winners of CASMI2013: Automated Tools and Challenge Data2014

    • Author(s)
      Nishioka T., Kasama T., Kinumi T., Makabe H., Matsuda F., Miura D., Miyashita M., Nakamura T., Tanaka K. and Yamamoto A.
    • Journal Title

      Mass Spectrometry

      Volume: 3 Issue: Special_Issue_2 Pages: S0039-S0039

    • DOI

      10.5702/massspectrometry.S0039

    • NAID

      130004690693

    • ISSN
      2186-5116, 2187-137X
    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] 有機分子の同定: MS の新しい課題2016

    • Author(s)
      中村健道
    • Organizer
      蛋白研セミナー・大阪大学「知の共創プログラム」産学連携セミナー『質量分析の最新動向と未来』
    • Place of Presentation
      大阪大学(吹田市)
    • Year and Date
      2016-12-03
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Utility of Energy-Resolved Tandem Mass Spectrometry in Identification of Isomeric Small Organic Molecules Including Diastereomers2016

    • Author(s)
      Takemichi Nakamura,Yasuaki Suda, Futoshi Sato
    • Organizer
      21st International Mass Spectrometry Conference
    • Place of Presentation
      Toronto, Ontario, Canada
    • Year and Date
      2016-08-22
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 有機イオンの化学とフラグメンテーションのあれこれ2016

    • Author(s)
      中村健道
    • Organizer
      日本質量分析学会第66回イオン反応研究会&第144回関東談話会講演会
    • Place of Presentation
      東京大学(東京)
    • Year and Date
      2016-04-23
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] エネルギー分解 LC/MS/MS 法の奨め ― 有機化合物定性・構造解析とMS/MSデータの解釈のために ―2015

    • Author(s)
      中村健道
    • Organizer
      第15回日本質量分析学会北海道談話会・研究会
    • Place of Presentation
      北海道大学創成科学研究棟(北海道札幌市)
    • Year and Date
      2015-10-19
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] GC/MSの基礎とフィールドイオン化法 (FI) の応用2015

    • Author(s)
      中村健道
    • Organizer
      理研シンポジウム 分子構造解析2015:MSとNMRの基礎と実践
    • Place of Presentation
      理化学研究所 鈴木梅太郎記念ホール(埼玉県和光市)
    • Year and Date
      2015-06-30
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] Utility of Field Ionization Method in GC/MS-based Identification of Small Molecules2015

    • Author(s)
      Takemichi Nakamura, Takeshi Furuhashi
    • Organizer
      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
      2015-06-19
    • Related Report
      2015 Research-status Report
  • [Presentation] Formation of isomeric ions in collision-induced dissociation process probed by energy-resolved ion mobility tandem mass spectrometry (ER-IMS/MS2)2014

    • Author(s)
      Takemichi Nakamura, Asuka Yamashita, Yayoi Hongo, Shunya Takahashi, Takae Takeuchi
    • Organizer
      20th International Mass Spectrometry Conference
    • Place of Presentation
      Centre International de Conferences Geneve, Geneva, Switzerland
    • Year and Date
      2014-08-28
    • Related Report
      2014 Research-status Report
  • [Presentation] Utility of Energy-Resolved Tandem Mass Spectrometry in Structural Characterization of Small Organic Molecules2014

    • Author(s)
      Takemichi Nakamura, Yayoi Hongo, Ken-ichi Harada
    • Organizer
      The 5th Asia Oceania Mass Spectrometry Conference
    • Place of Presentation
      Peking University, Beijing, China
    • Year and Date
      2014-07-18
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] 質量分析による有機分子構造解析とイオン移動度分析2014

    • Author(s)
      中村健道
    • Organizer
      第3回イオン移動度研究会
    • Place of Presentation
      東邦大学(千葉県船橋市)
    • Year and Date
      2014-04-29
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] タンデム質量分析法による構造解析:種々の解離法と測定法を用いたデータをどのように捉え解釈していくか?2013

    • Author(s)
      中村健道
    • Organizer
      第61回質量分析総合討論会
    • Place of Presentation
      つくば市
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 糖ペプチドのイオンモビリティー質量分析と分子力学法を用いたコンフォメーション探索2013

    • Author(s)
      田尻道子,竹内孝江,Feifei Zhu, Maissa M. Gaya, 本郷やよい,中村健道,廣瀬賢治,David E Clemmer, 和田芳直
    • Organizer
      第61回質量分析総合討論会
    • Place of Presentation
      つくば市
    • Related Report
      2013 Research-status Report
  • [Book] 質量分析学―基礎編―2016

    • Author(s)
      中村健道
    • Total Pages
      100
    • Publisher
      日本質量分析学会
    • Related Report
      2016 Annual Research Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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