著者

鳥越 大平 髙橋 政友 中尾 素直 相馬 悠希 池田 和輝 中谷 航太 馬場 健史 和泉 自泰

出版者

一般社団法人 日本質量分析学会

雑誌

Journal of the Mass Spectrometry Society of Japan (ISSN:13408097)

巻号頁・発行日

vol.70, no.4, pp.245-247, 2022-12-01 (Released:2022-12-15)

参考文献数

4

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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.