Chemical Assignment of Structural Isomers of Sulfur-Containing Metabolites in Garlic by Liquid Chromatography-Fourier Transform Ion Cyclotron Resonance-Mass Spectrometry

The Journal of Nutrition
Ryo NakabayashiKazuki Saito

Abstract

The chemical assignment of metabolites is crucial to understanding the relation between food composition and biological activity. This study was designed to detect and chemically assign sulfur-containing metabolites by using LC-Fourier transform ion cyclotron resonance-mass spectrometry (FTICR-MS) in Allium plants. Ultrahigh resolution (>250,000 full width at half-maximum) and mass accuracy (<1 mDa) by FTICR-MS allowed us to distinguish ions containing sulfur isotopes ((32)S and (34)S). Putative 69 S-containing monoisotopic ions (S-ions) were extracted from the metabolome data of onion (Allium cepa), green onion (Allium fistulosum), and garlic (Allium sativum) on the basis of theoretical mass differences between (32)S-ions and their (34)S-substituted counterparts and on the natural abundance of (34)S. Eight S-ions were chemically assigned by using the reference data according to the guidelines of the Metabolomics Standards Initiative. Three ions detected in garlic were assigned as derived from the isomers γ-glutamyl-S-1-propenylcysteine and γ-glutamyl-S-2-propenylcysteine and as S-2-propenylmercaptoglutathione on the basis of differences in key product ions identified in reference tandem MS spectra. The ability to discriminate ...Continue Reading

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Citations

Jul 28, 2016·Current Opinion in Biotechnology·Ryo Nakabayashi, Kazuki Saito
Jan 10, 2018·Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan·Kazuki Saito
Aug 14, 2019·Journal of Experimental Botany·Mutsumi Watanabe, Rainer Hoefgen
Sep 26, 2020·PeerJ·Kiran KhandagaleAshutosh Rai
May 21, 2021·PloS One·Ralph John Emerson J MolinoHiyas A Junio
Dec 10, 2016·Journal of Agricultural and Food Chemistry·Yasuhiro KamataShinsuke Imai

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