UPLC-Q-Orbitrap-HRMS coupled with ICP-MS method for the determination of chemical constituents and inorganic elements in handmade brown sugar from Ailao Mountain

An integrated method based on UPLC-Q-Orbitrap-HRMS and ICP-MS was developed for the simultaneous characterization of chemical constituents and inorganic elements in brown sugar hand-crafted in the Ailao Mountain. After water extraction and ethanol precipitation, thirty metabolites were identified by UPLC-Q-Orbitrap-HRMS, including 10 amino acids and their derivatives, 8 sugars and derivatives, 4 organic acids, 3 aldehydes and 5 other organic compounds. ICP-MS quantified the elemental profiles of three independent batches, revealing high levels of the macro-elements K, Mg and Ca, along with nutritionally relevant amounts of the trace elements Fe, Zn, Cu, Se, Co, Mn and Cr. Fingerprinting, elemental correlation analysis and health-risk assessment were subsequently performed. Estimated daily exposure per kg body weight (Exp), hazard index (HI) and margin of exposure (MOE) indicated that all batches conformed to the heavy-metal limits set by the Chinese Pharmacopoeia (2025 edition), and the overall health risk from toxic elements is negligible. By integrating comprehensive chemical profiling with precise elemental quantification, the study establishes a dual-dimension quality evaluation system that provides robust data and technical support for constructing a quality profile of Ailao Mountain brown sugar and for elucidating the relationship between its chemical composition and nutritional functions.