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Development of a data processing system for LC-QqQ/MS based metabolomics

Research Project

Project/Area Number 25871136
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Life / Health / Medical informatics
Biomolecular chemistry
Research InstitutionThe Institute of Physical and Chemical Research

Principal Investigator

TSUGAWA Hiroshi  独立行政法人理化学研究所, 環境資源科学研究センター, 特別研究員 (30647235)

Project Period (FY) 2013-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywordsメタボロミクス / データ処理 / 化合物同定 / 質量分析 / LC/QqQ/MS / ワイドターゲット解析 / データ解析 / バイオインフォマティクス / 液体クロマトグラフィー
Outline of Final Research Achievements

We developed a data processing pipeline for widely targeted metabolomics by using the multiple reaction monitoring (MRM) mode. Widely targeted metabolomics became increasingly popular in metabolomics for the simultaneous analysis of several hundred metabolites at high sensitivity and selectivity. However, the identification criterion to distinguish the target metabolites from the isomeric metabolites or background noise has not been developed. In addition, a user-friendly software to deal with the large-scale data sets is required. MRMPROBS was therefore developed for the assessment of large-scale MRM data applicable to any instrument or experimental conditions.

Report

(3 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • Research Products

    (12 results)

All 2015 2014 2013 Other

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Acknowledgement Compliant: 3 results,  Open Access: 1 results) Presentation (3 results) Remarks (2 results)

  • [Journal Article] MRM-DIFF: Data Processing Strategy for Differential Analysis in Large Scale MRM-based Lipidomics Studies.2015

    • Author(s)
      Tsugawa H, Ohta E, Izumi Y, Ogiwara A, Yukihira D, Bamba T, Fukusaki E, Arita M.
    • Journal Title

      Frontiers in Genetics.

      Volume: 5 Pages: 471-471

    • DOI

      10.3389/fgene.2014.00471

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] MRMPROBS suite for metabolomics using large-scale MRM assays2014

    • Author(s)
      Hiroshi Tsugawa, Mitsuhiro Kanazawa, Atsushi Ogiwara, Masanori Arita
    • Journal Title

      Bioinformatics

      Volume: 30 Issue: 16 Pages: 2379-2380

    • DOI

      10.1093/bioinformatics/btu203

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Highly sensitive and selective analysis of widely targeted metabolomics using gas chromatography/triple-quadrupole mass spectrometry2014

    • Author(s)
      Hiroshi Tsugawa, Yuki Tsujimoto, Kuniyo Sugitate, Norihiro Sakui, Shin Nishiumi, Takeshi Bamba, Eiichiro Fukusaki
    • Journal Title

      Journal of bioscience and bioengineering

      Volume: 117 Pages: 122-128

    • NAID

      110009766615

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Highly sensitive and selective analysis of widely targeted metabolomics using gas chromatography/triple-quadrupole mass spectrometry2014

    • Author(s)
      Hiroshi Tsugawa, Yuki Tsujimoto, Kuniyo Sugitate, Norihiro Sakui, Shin Nishiumi, Takeshi Bamba, Eiichiro Fukusaki
    • Journal Title

      Journal of Bioscience and Bioengineering

      Volume: 117 Issue: 1 Pages: 122-128

    • DOI

      10.1016/j.jbiosc.2013.06.009

    • NAID

      110009766615

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Different-batch metabolome analysis of Saccharomyces cerevisiae based on gas chromatography/mass spectrometry2014

    • Author(s)
      Naoki Kawase, Hiroshi Tsugawa, Takeshi Bamba, Eiichiro Fukusaki
    • Journal Title

      Journal of Bioscience and Bioengineering

      Volume: 117 Issue: 2 Pages: 248-255

    • DOI

      10.1016/j.jbiosc.2013.07.008

    • NAID

      110009804081

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Data Assessment and Metabolite Identification Tool for Large-scale MRM-based Widely Targeted Metabolomics2013

    • Author(s)
      Tsugawa, H., Arita, M., Kanazawa, M., Ogiwara, A., Bamba, T., Fukusaki, E
    • Journal Title

      Anal. Chem

      Volume: 85(10) Issue: 10 Pages: 5191-5199

    • DOI

      10.1021/ac400515s

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Method for assessing the statistical significance of mass spectral similarities using basic local alignment search tool statistics2013

    • Author(s)
      松田史生、福崎英一郎
    • Journal Title

      Analytical Chemistry

      Volume: 85 Issue: 17 Pages: 8291-8217

    • DOI

      10.1021/ac401564v

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] MRMPROBS: Data Assessment and Metabolite Identification Tool for Large-scale MRM-based Widely Targeted Metabolomics2013

    • Author(s)
      Hiroshi Tsugawa
    • Organizer
      American Society for Mass Spectrometry Annual Conference
    • Place of Presentation
      ミネアポリス,USA
    • Related Report
      2013 Research-status Report
  • [Presentation] MRMPROBS: Multiple reaction monitoringを用いた 定量メタボロミクス研究に資するピーク評価方法ならびにデータ解析ソフトウェアの開発2013

    • Author(s)
      津川裕司
    • Organizer
      第8回メタボロームシンポジウム
    • Place of Presentation
      九州大学, 福岡市東区馬出3丁目1番1号
    • Related Report
      2013 Research-status Report
  • [Presentation] MRMPROBS:Multiple reaction monitoringを用いたワイドターゲットメタボローム解析のための ピーク評価法ならびにデータ解析ソフトウェアの開発2013

    • Author(s)
      津川裕司
    • Organizer
      第61回質量分析討論会
    • Place of Presentation
      つくば国際会議場, 茨城県つくば市竹園2丁目20-3
    • Related Report
      2013 Research-status Report
  • [Remarks] RIKEN PRIMe

    • URL

      http://prime.psc.riken.jp/Metabolomics_Software/

    • Related Report
      2014 Annual Research Report
  • [Remarks] PRIMe

    • URL

      http://prime.psc.riken.jp/Metabolomics_Software/

    • Related Report
      2013 Research-status Report

URL: 

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

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