LC-MS/MS method

Natural products are small-molecule compounds produced in nature, derived from animals, plants, and microorganisms, including both primary and secondary metabolites. With their structural diversity and favorable biological activities, natural products have long been an important source for drug discovery. Traditional natural product research has often focused on isolating single active components, whereas metabolomics emphasizes a holistic approach—comprehensively detecting all metabolites in a sample and systematically capturing both known and unknown constituents. Consequently, mass spectrometry‑based metabolomics databases have become a key technological support for screening known components and identifying unknown compounds from natural sources.

MCE Mass Spectrometry Natural Product Library contains 4,499 natural products, covering multiple structural classes, including sugars and glycosides, phenylpropanoids, quinones, flavonoids, terpenoids, etc. All compounds have undergone rigorous quality control by LC/MS and other analytical methods, and can serve as high‑purity reference standards for metabolite identification.

Chirality and stereochemistry are important research areas in modern chemical synthesis, molecular recognition, and small-molecule drug discovery, playing critical roles in target binding, pharmacological activity, in vivo metabolism, and toxicity. Although different enantiomers of a chiral molecule possess mirror-image three-dimensional structures, they may exhibit significantly different biological activities, metabolic profiles, and toxicological properties. Chiral small molecules with well-defined stereochemical structures can be used to investigate chiral recognition and stereoselective mechanisms, elucidate three-dimensional interactions between target proteins and small molecules, compare the biological effects of different stereoisomers, and support stereoselective structure-activity relationship (SAR) studies and chiral optimization of lead compounds. These compounds are valuable tools for research in asymmetric synthesis, chemical biology, and drug discovery.

The MCE Chiral Compound Library contains 9,447 bioactive chiral small molecules, providing a diverse collection of compounds for chirality and stereochemistry research. This library provides research materials for investigating the structures and properties of chiral molecules, exploring stereoselective SARs, and comparing the biological activities of different stereoisomers. It also supports related research in chemical biology, drug discovery, and lead compound optimization.