Bowen Tara J, Hall Andrew R, Southam Andrew D, Edbali Ossama, Weber Ralf J M, Wilson Amanda, Pointon Amy, Viant Mark R
School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK.
Medicines Discovery Catapult, Alderley Park, Cheshire, SK10 4TG, UK.
Metabolomics. 2025 Apr 21;21(3):54. doi: 10.1007/s11306-025-02252-0.
The use of large, non-sample specific metabolite reference libraries often results in high proportions of false positive annotations in untargeted metabolomics.
This study aimed to measure and curate a library of polar metabolites and lipids present in cardiac microtissues.
Untargeted ultra-high performance liquid chromatography-coupled mass spectrometry measurements of cardiac microtissue intracellular extracts were annotated by comparison against four spectral databases and a retention time library. The annotations were combined to create a library of 313 polar metabolites and 1004 lipids.
The curated library will facilitate higher confidence metabolite annotation in mass spectrometry-based untargeted metabolomics of cardiac microtissues.
在非靶向代谢组学中，使用大型的、非样本特异性的代谢物参考库常常导致高比例的假阳性注释。
本研究旨在测量和整理心脏微组织中存在的极性代谢物和脂质库。
通过与四个光谱数据库和一个保留时间库进行比较，对心脏微组织细胞内提取物进行非靶向超高效液相色谱-质谱联用测量并进行注释。这些注释被整合起来，创建了一个包含313种极性代谢物和1004种脂质的库。
这个经过整理的库将有助于在基于质谱的心脏微组织非靶向代谢组学中实现更高可信度的代谢物注释。
