Complementary Analytical Platforms of NMR Spectroscopy and LCMS Analysis in the Metabolite Profiling of Isochrysis galbana

Mar Drugs. 2021 Mar 2;19(3):139. doi: 10.3390/md19030139.

Abstract

This study was designed to profile the metabolites of Isochrysis galbana, an indigenous and less explored microalgae species. 1H Nuclear Magnetic Resonance (NMR) spectroscopy and Liquid Chromatography-Mass Spectrometry (LCMS) were used to establish the metabolite profiles of five different extracts of this microalga, which are hexane (Hex), ethyl acetate (EtOAc), absolute ethanol (EtOH), EtOH:water 1:1 (AqE), and 100% water (Aq). Partial least square discriminant analysis (PLS-DA) of the generated profiles revealed that EtOAc and Aq extracts contain a diverse range of metabolites as compared to the other extracts with a total of twenty-one metabolites, comprising carotenoids, polyunsaturated fatty acids, and amino acids, that were putatively identified from the NMR spectra. Meanwhile, thirty-two metabolites were successfully annotated from the LCMS/MS data, ten of which (palmitic acid, oleic acid, α-linolenic acid, arachidic acid, cholesterol, DHA, DPA, fucoxanthin, astaxanthin, and pheophytin) were similar to those present in the NMR profile. Another eleven glycerophospholipids were discovered using MS/MS-based molecular network (MN) platform. The results of this study, besides providing a better understanding of I.galbana's chemical make-up, will be of importance in exploring this species potential as a feed ingredient in the aquaculture industry.

Keywords: Isochrysis galbana; LCMS; NMR; metabolite profile; metabolomics; molecular network.

MeSH terms

  • Amino Acids / isolation & purification
  • Carotenoids / isolation & purification
  • Chromatography, Liquid
  • Fatty Acids, Unsaturated / isolation & purification
  • Haptophyta / metabolism*
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Metabolomics*
  • Tandem Mass Spectrometry

Substances

  • Amino Acids
  • Fatty Acids, Unsaturated
  • Carotenoids