LC/HRMS/MSと<b><i>in silico</i></b>エピメタボライトデータベース（IEMDB）に基づく未知の親水性代謝物の包括的構造推定

DOI Web Site Web Site 参考文献4件 オープンアクセス

書誌事項

タイトル別名
  • Comprehensive Annotation for Unidentified Hydrophilic Metabolites Based on LC/HRMS/MS and <i>In Silico</i> Epimetabolite Database (IEMDB)
  • 水性代謝物の包括的構造推定
  • スイセイ タイシャブツ ノ ホウカツテキ コウゾウ スイテイ

この論文をさがす

説明

<p>Epimetabolite is defined as analogues of known metabolites with different substructures. The rapid development of high-resolution mass spectrometry (HRMS) and some data mining tools has contributed to detecting and identifying a few epimetabolites that could play an important role as biological functions. However, almost all epimetabolites have not been identified because a generally applicable method for the comprehensive annotation of epimetabolites had not been developed. In the present study, we have proposed an advanced methodology for comprehensive structural elucidation of unidentified hydrophilic metabolites by a combination of stable isotope labeling, unified-HILIC/AEX/HRMS/MS analysis, data mining techniques, and metabolite annotation using in silico epimetabolite database (IEMDB). In fact, we successfully annotated 444 novel epimetabolite candidates in E. coli. Our method has several advantages over conventional techniques and represents a potentially useful tool for structural elucidation of comprehensive epimetabolites.</p>

収録刊行物

  • 質量分析

    質量分析 70 (4), 245-247, 2022-12-01

    一般社団法人 日本質量分析学会

参考文献 (4)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ