Accurate Mass HILIC-MS/MS for Metabolomics Analysis of Blood Plasma

摘要

Hardware Comparison: (1) The Leco Citius LC-HRT provided better mass accuracy. (2) The Agilent 6530 Q-TOF provided better isotope abundance error. Formula Identification: (1) Fiehn Lab 7-Golden Rules performed well across a range of structures and m/z values. (2) Manufacturer Software: - Appropriate Elemental Formula Assignment at m/z < 500. - Difficultly Returning Correct Formula as a Top Hit at m/z > 500. Untargeted Data Analysis: (1) All Software Tools Capable of Elucidating Target Compounds. (2) Differences Observed in m/z Assignment and Coverage.