Characterisation and identification of chemical constituents in aqueous extract of Fomes officinalis Ames based on ultrahigh‐performance liquid chromatography tandem quadrupole‐Orbitrap high‐resolution mass spectrometry

Abstract Introduction Fungal species are an attractive resource for physiologically functional food and drug precursor. Fomes officinalis Ames, a medicinal fungus, is traditionally used as a folk medicine in traditional Chinese medicine prescription for the therapy of cough and asthma. The water‐soluble substances in Chinese herbal medicines are likely to play an important physiological function. However, information on probing and identifying chemical components of the aqueous extract of Fomes officinalis Ames (AFO) remains unknown. Objective This study was conducted to screen and characterise the chemical components of AFO. Material and Methods An effective and sensitive ultrahigh‐performance liquid chromatography tandem quadrupole‐Orbitrap high‐resolution mass spectrometry (UHPLC‐Q‐Orbitrap‐HRMS) method with the Full MS/PIL/dd‐MS 2 acquisition approach was applied for the profiling of chemical components in AFO. An HSS T3 column was used for component separation, and a strategy of simultaneous targeted and untargeted multicomponent characterisation was implemented. Multiple identification approaches were used, including accurate molecular mass and elemental composition matching, literature and database searching, and fragmentation rules elucidation. Results A total of 115 components, including 20 amino acids and derivatives, six nucleobases, nine nucleosides, 75 dipeptides, two tripeptides, and three other components, were tentatively identified. Among them, the targeted exploring method screened six nucleobases and nine nucleosides including modified nucleosides. To our best knowledge, this is the first time a report has been done on the presence of the 115 compounds in AFO. Conclusion Profiling and characterisation compounds of AFO enriched its material basis, which would lay the foundation for improving potential medicinal and nutritional values and effecting comprehensive quality control of Fomes officinalis Ames.