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Development of next generation untaregeted metabolomics methodologies using LC-MS/MS

Research Project

Project/Area Number 15K01812
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Biomolecular chemistry
Research InstitutionInstitute of Physical and Chemical Research

Principal Investigator

Tsugawa Hiroshi  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, 研究員 (30647235)

Research Collaborator ARITA Masanori  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, チームリーダー (10356389)
SAITO Kazuki  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, グループディレクター (00146705)
NAKABAYSHI Ryo  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, 研究員 (30586160)
ARITA Makoto  国立研究開発法人理化学研究所, 生命医科学研究センター, チームリーダー (80292952)
IKEDA Kazutaka  国立研究開発法人理化学研究所, 生命医科学研究センター, 副チームリーダー (10466732)
FIEHN Oliver  カリフォルニア大学デイビス校, West Coast Metabolomics Center, 教授
LAI Zijuan  カリフォルニア大学デイビス校, West Coast Metabolomics Center, 学生
KIND Tobias  カリフォルニア大学デイビス校, West Coast Metabolomics Center, Assistant Project Scientist
CAJKA Tomas  カリフォルニア大学デイビス校, West Coast Metabolomics Center, Associate Specialist
WOHLGEMUTH Gert  カリフォルニア大学デイビス校, West Coast Metabolomics Center, リードプログラマー
MEHTA Sajjan  カリフォルニア大学デイビス校, West Coast Metabolomics Center, プログラマー
MUELLER Matthew  カリフォルニア大学デイビス校, West Coast Metabolomics Center, プログラマー
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Keywords質量分析 / インフォマティクス / 化合物同定 / ケムインフォマティクス / バイオインフォマティクス / 質量分析インフォマティクス / メタボロミクス / エピメタボライト / ノンターゲット解析 / メタボローム解析 / リピドミクス / LC-MS/MS
Outline of Final Research Achievements

There are a lot of reports providing that the ‘metabolome’ is definitely relevant to the biological functions and physiological phenotypes in living organisms. The mass spectrometry based untargeted metabolomics is the popular platform to profile the metabolites, which can be contributed to the discovery of novel metabolite-phenotype relationships. However, the methodology smoothly decoding the complicated ‘big data’ of mass spectrometer has not been reported yet, and unfortunately, only several dozen metabolites are grasped in metabolomics due to the lack of mass spectrum annotation technology. New methodologies developed in this study enables us to easily and precisely perform the data processing and to capture >1000 metabolites from the biological samples.

Report

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

    (9 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (1 results) Journal Article (7 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 7 results,  Open Access: 4 results,  Acknowledgement Compliant: 2 results) Remarks (1 results)

  • [Int'l Joint Research] カリフォルニア大学デイビス校/Oliver Fiehn研究室(米国)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Advances in computational metabolomics and databases deepen the understanding of metabolisms2018

    • Author(s)
      Hiroshi Tsugawa
    • Journal Title

      Current Opinion in Biotechnology

      Volume: 54 Pages: 10-17

    • DOI

      10.1016/j.copbio.2018.01.008

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics2017

    • Author(s)
      Lai Z, Tsugawa H, Wohlgemuth G, Mehta S, Mueller M, Zheng Y, Ogiwara A, Meissen J, Showalter M, Takeuchi K, Kind T, Beal P, Arita M, Fiehn O
    • Journal Title

      Nature Methods

      Volume: 15 Issue: 1 Pages: 53-56

    • DOI

      10.1038/nmeth.4512

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] The importance of bioinformatics for connecting data-driven lipidomics and biological insights.2017

    • Author(s)
      Tsugawa H, Ikeda K, Arita M.
    • Journal Title

      Biochim Biophys Acta

      Volume: 1862 Issue: 8 Pages: 762-765

    • DOI

      10.1016/j.bbalip.2017.05.006

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Comprehensive identification of sphingolipid species by in silico retention time and tandem mass spectral library.2017

    • Author(s)
      Tsugawa H, Ikeda K, Tanaka W, Senoo Y, Arita M, Arita M.
    • Journal Title

      J Cheminform

      Volume: 9 Issue: 1 Pages: 19-19

    • DOI

      10.1186/s13321-017-0205-3

    • Related Report
      2017 Annual Research Report 2016 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Integrated strategy for unknown EI-MS identification using quality control calibration curve, multivariate analysis, EI-MS spectral database, and retention index prediction.2017

    • Author(s)
      Teruko Matsuo, Hiroshi Tsugawa, Hiromi Miyagawa, Eiichiro Fukusaki
    • Journal Title

      Analytical Chemistry

      Volume: 2017 Issue: 12 Pages: 6766-6773

    • DOI

      10.1021/acs.analchem.7b01010

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software2016

    • Author(s)
      Tsugawa H, Kind T, Nakabayashi R, Yukihira D, Tanaka W, Cajka T, Saito K, Fiehn O, Arita M
    • Journal Title

      Anal Chem

      Volume: 88 Issue: 16 Pages: 7946-7958

    • DOI

      10.1021/acs.analchem.6b00770

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.2015

    • Author(s)
      Hiroshi Tsugawa, Tomas Cajka, Tobias Kind, Yan Ma, Brendan Higgins, Kazutaka Ikeda, Mitsuhiro Kanazawa, Jean VanderGheynst, Oliver Fiehn, Masanori Arita
    • Journal Title

      Nature Methods

      Volume: 12 Issue: 6 Pages: 523-526

    • DOI

      10.1038/nmeth.3393

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Remarks] Computational metabolomics

    • URL

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

    • Related Report
      2017 Annual Research Report

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Published: 2015-04-16   Modified: 2022-05-30  

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