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<p>Chilies have long been valued for their culinary uses, vibrant flavors, and their bioactive compounds that contribute to significant health benefits. Recent advancements in liquid chromatography-mass spectrometry<b> (</b>LC–MS) based metabolomics have provided an in-depth exploration of the chemical diversity within plant samples. This study utilized LC–MS-QTOF (quadrupole time-of-flight) analysis to identify and profile metabolites across 32 samples of three different species of <i>Capsicum</i> (<i>Capsicum annuum</i> L., <i>Capsicum frutescens</i> L., <i>Capsicum chinense</i> Jacq.) from Northeast India. Compounds detected by LC-QTOF-MS with a confidence score above 75 were used for all analyses, including evaluation of chemical diversity among the chili samples. The results obtained through PCA were similar to the hierarchical clustering based on the Jaccard distance. Most chili samples clustered tightly around each other indicating similar metabolic profiles except samples CH3, CH4 of <i>C. annuum</i> var. longum and CH12, CH14, CH16, CH17, and CH30 from <i>C. chinense</i> as distinct outliers, suggesting marked differences in their chemical composition. Pathway analysis using MetaboAnalyst 6.0 revealed that common metabolites predominantly mapped to phenylpropanoid, anthocyanin, and fatty acid biosynthesis pathways, reflecting core metabolic functions related to pigmentation, flavor, and defense. In contrast, unique metabolites impacted arginine, glucosinolate, and ascorbate metabolic pathways, indicating accession-specific variations that contribute to differences in nutritional and adaptive traits. The comprehensive exploration of metabolites highlighted rich diversity of compounds such as capsaicinoids, flavonoids, phenolic, and other bioactive compounds. The study enlists the untapped chili resources of NER suggesting their potential as a valuable basis for future exploration.</p> Graphical Abstract <p></p>

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Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry (LC-QTOF-MS) Based Metabolomics of 32 Chili Accessions from Northeast India

  • 期刊论文

  • 发表日期：

    2025年11月14日

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  • Sushil Kumar Chaudhary,
  • Robinson C. Jose,
  • Huidrom Khelemba Singh,
  • Leimapokpam Demi Chanu,
  • Tonjam Bidyasana Chanu,
  • Jitendra Kumar Shukla,
  • Pardeep Kumar Bhardwaj,
  • Nanaocha Sharma,
  • Pulok Kumar Mukherjee

摘要

Chilies have long been valued for their culinary uses, vibrant flavors, and their bioactive compounds that contribute to significant health benefits. Recent advancements in liquid chromatography-mass spectrometry (LC–MS) based metabolomics have provided an in-depth exploration of the chemical diversity within plant samples. This study utilized LC–MS-QTOF (quadrupole time-of-flight) analysis to identify and profile metabolites across 32 samples of three different species of Capsicum (Capsicum annuum L., Capsicum frutescens L., Capsicum chinense Jacq.) from Northeast India. Compounds detected by LC-QTOF-MS with a confidence score above 75 were used for all analyses, including evaluation of chemical diversity among the chili samples. The results obtained through PCA were similar to the hierarchical clustering based on the Jaccard distance. Most chili samples clustered tightly around each other indicating similar metabolic profiles except samples CH3, CH4 of C. annuum var. longum and CH12, CH14, CH16, CH17, and CH30 from C. chinense as distinct outliers, suggesting marked differences in their chemical composition. Pathway analysis using MetaboAnalyst 6.0 revealed that common metabolites predominantly mapped to phenylpropanoid, anthocyanin, and fatty acid biosynthesis pathways, reflecting core metabolic functions related to pigmentation, flavor, and defense. In contrast, unique metabolites impacted arginine, glucosinolate, and ascorbate metabolic pathways, indicating accession-specific variations that contribute to differences in nutritional and adaptive traits. The comprehensive exploration of metabolites highlighted rich diversity of compounds such as capsaicinoids, flavonoids, phenolic, and other bioactive compounds. The study enlists the untapped chili resources of NER suggesting their potential as a valuable basis for future exploration.

Graphical Abstract