To address the challenges of poor reproducibility in untargeted metabolomics and low coverage in targeted approaches, Shimadzu Corporation, in collaboration with the research team led by Professor Xu Guowang from the Dalian Institute of Chemical Physics, has developed a "pseudo-targeted" metabolomics method package specifically designed for Shimadzu's LC-MS platform.

This innovative solution ingeniously combines the strengths of both techniques: it first employs high-resolution mass spectrometry (LC-QTOF) for untargeted broad-spectrum scanning to ensure extensive coverage, followed by automated selection of optimal ion pairs using specialized software. The method is then seamlessly transferred to a triple quadrupole mass spectrometer (LC-MS/MS) for high-throughput, high-sensitivity, and accurate quantification. The package includes ready-to-use method files, automated software, and an operational manual, standardizing complex procedures and enabling users to complete the entire process—from sample preparation to method establishment—in just three steps.

The initiative aims to transform advanced pseudo-targeted technology into a user-friendly, standardized tool, significantly enhancing data quality and analytical efficiency while strongly promoting the application of metabolomics in areas such as disease biomarker discovery.