Development of annotation software for metabolite peaks detected by LC-FT-ICR-MS and the annotation database KOMICS
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- Sakurai Nozomu
- Kazusa DNA Research Inst.
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- Nakamura Yukiko
- Kazusa DNA Research Inst.
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- Iijima Yoko
- Kazusa DNA Research Inst.
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- Ogata Yoshiyuki
- Kazusa DNA Research Inst.
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- Motegi Takeshi
- Kazusa DNA Research Inst.
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- Hiruta Atsushi
- Kazusa DNA Research Inst.
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- Aoki Koh
- Kazusa DNA Research Inst.
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- Suzuki Hideyuki
- Kazusa DNA Research Inst.
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- Saito Kazuki
- RIKEN, PSC Graduate School of Pharmaceutical Sciences, Chiba Univ.
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- Shibata Daisuke
- Kazusa DNA Research Inst.
Bibliographic Information
- Other Title
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- LC-FT-ICR-MS分析における代謝産物ピークのアノテーションソフトPowerFTの開発とアノテーションデータベースKOMICSの構築
Abstract
Prediction of metabolites in the peaks detected by liquid chromatography (LC) - mass spectrometry (MS) requires human insights to re-construct probable molecules from various information, such as 1) mass values on predicted ionization states, and origin of the peaks (13C isotopic, multivalent, or auto-fragmented peaks), 2) partial structure of metabolites deciphered by tandem MS/MS analysis and UV absorption, and 3) results of database and literature searching. Therefore, enormous time and labor have to be spent to predict all the peaks detected even in one analysis. This is one of major factors that restricts comprehensiveness of metabolites in the further data analyses. To accelerate understanding of matabolome obtained by LC-MS, we have constructed the database KOMICS (http://webs2.kazusa.or.jp/komics/) to store and reuse the annotation results. Here we report software PowerFT to accelerate annotations of the peaks detected by LC-Fourier transform ion cyclotron resonance (FT-ICR)-MS and the development of KOMICS.
Journal
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- Plant and Cell Physiology Supplement
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Plant and Cell Physiology Supplement 2009 (0), 0196-0196, 2009
The Japanese Society of Plant Physiologists
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Details 詳細情報について
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- CRID
- 1390001205630414976
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- NII Article ID
- 130006991115
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- Data Source
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- JaLC
- CiNii Articles
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- Abstract License Flag
- Disallowed