Metabolites are building blocks of cellular function. These species are involved in enzyme-catalyzed chemical reactions and are essential for cellular function. Upstream biological disruptions result in a series of metabolomic changes and, as such, the metabolome holds a wealth of information that is thought to be most predictive of phenotype. Uncovering this knowledge is a work in progress. The field of metabolomics is still maturing; the community has leveraged proteomics experience when applicable and developed a range of sample preparation and instrument methodology along with myriad data processing and analysis approaches. Research focuses have now shifted toward a fundamental understanding of the biology responsible for metabolomic changes. There are several types of metabolomics experiments including both targeted and untargeted analyses. While untargeted, hypothesis generating workflows exhibit many valuable attributes, challenges inherent to the approach remain. This Critical Insight comments on these challenges, focusing on the identification process of LC-MS-based untargeted metabolomics studies-specifically in mammalian systems. Biological interpretation of metabolomics data hinges on the ability to accurately identify metabolites. The range of confidence associated with identifications that is often overlooked is reviewed, and opportunities for advancing the metabolomics field are described. Graphical Abstract ᅟ.

Alexandra C. Schrimpe-Rutledge

Simona G. Codreanu

Stacy D. Sherrod

John A. McLean

Journal of the American Society for Mass Spectrometry

《美国质谱学会杂志》发表的研究论文涵盖了质谱的各个方面，涵盖了质谱可以发挥作用的科学探究领域。该杂志发表的论文范围广泛，涉及质量的基础和应用光谱学。基础科目包括仪器原理、设计和演示、气相离子的结构和化学性质、热力学性质研究、离子光谱学、化学动力学、电离机制、离子碎裂理论、簇离子和势能表面。除了全文之外，该期刊还提供通讯、应用笔记、账户和观点

The Journal of the American Society for Mass Spectrometry publishes research papers covering all aspects of mass spectrometry, including its applications in various scientific inquiries. The journal features a wide range of papers that encompass both fundamental and applied spectroscopy. Fundamental topics include principles of instrumentation, design and demonstration, structure and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, ionization mechanisms, ion fragmentation theory, cluster ions, and potential energy surfaces. In addition to full articles, the journal also offers communications, application notes, accounts, and viewpoints.

《Journal of the American Society for Mass Spectrometry》发表的研究论文涵盖质谱的各个方面，涉及质谱在科学研究中的广泛应用。该杂志的论文范围广泛，涵盖基础和应用光谱学。基础主题包括仪器原理、设计与演示、气相离子的结构与化学性质、热力学性质研究、离子光谱学、化学动力学、电离机制、离子碎裂理论、簇离子和势能表面等。此外，期刊还提供通讯、应用笔记、账户和观点等内容。

J. Am. Soc. Mass Spectrom.

Untargeted Metabolomics Strategies—Challenges and Emerging Directions

This Critical Insight comments on the identification process of LC-MS-based untargeted metabolomics studies—specifically in mammalian systems, focusing on the ability to accurately identify metabolites.

Category	Quartile
化学	2
化学, 光谱学	2
化学, 生化研究方法	3
化学, 分析化学	3
化学, 物理化学	3

Untargeted Metabolomics Strategies—Challenges and Emerging Directions

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