Mining Secondary Metabolites of Chassalia curviflora Leaves Using SIRIUS and High-Resolution Mass Spectrometry Data

Authors

  • Aina Syuhada Ammar Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia
  • Nur Ain Syahmina Abdull Aziz Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia
  • Nurunajah Ab Ghani Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia
  • Nurulfazlina Edayah Rasol Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia

DOI:

https://doi.org/10.37134/jsml.vol12.1.13.2024

Keywords:

Rubiaceae, Chassalia curviflora, dereplication, SIRIUS, orbitrap

Abstract

Chassalia curviflora (Wall ex Kurz.) Thwaites is a flowering plant from Rubiaceae family. Previous phytochemical investigation on Chassalia species led to the isolation of benzoic acid, benzoquinone derivatives, flavonoids, monoterpenoid indole alkaloids and its essential oil composition. However, these are still scarce in terms of its scientific report on studied species. This study was carried out to investigate fast screening of secondary metabolites by using data-dependent acquisition (DDA) LC-MS/MS analysis of methanolic extract of the leaf of the C. curviflora in positive ionization mode. The data were analysed using computational mass spectrometry method from molecular structure database search implemented in Sirius. This led in discovering of 13 known secondary metabolites from a distinct tandem MS data. De novo molecular formula annotations and predictions from SIRIUS suggested five major class compounds classified as coumarin, benzofuran, fatty acids, esters and triterpenes. Stigmasterol 12 and β-sitosterol 13 were successfully isolated, thus used to verify the data obtained from the Sirius. With our results, we advocate the MS-based approach as a useful starting method for the dereplication of compounds from the complex crude extract of plants.

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Author Biographies

Nur Ain Syahmina Abdull Aziz, Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia

Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia

Nurunajah Ab Ghani, Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia

Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia

Nurulfazlina Edayah Rasol, Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia

Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia

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Published

2024-01-05

How to Cite

Ammar, A. S., Abdull Aziz, N. A. S., Ab Ghani, N., & Rasol, N. E. (2024). Mining Secondary Metabolites of Chassalia curviflora Leaves Using SIRIUS and High-Resolution Mass Spectrometry Data. Journal of Science and Mathematics Letters, 12(1), 111–118. https://doi.org/10.37134/jsml.vol12.1.13.2024

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