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Title Combination of Liquid Chromatography−Fourier Transform Ion Cyclotron Resonance-Mass Spectrometry with 13C‑Labeling for Chemical Assignment of Sulfur-Containing Metabolites in Onion Bulbs
Description We provide a chemical assignment strategy for S-metabolites using 12C- and 13C-based MS and tandem mass spectrometry (MS/MS) spectra recorded by Fourier transform ion cyclotron resonance-mass spectrometry (FTICR-MS) coupled with liquid chromatography (LC) as a case study of the metabolite of onion bulbs. We performed comprehensive peak picking using the theoretical mass difference (1.99579 Da) between 32S-containing monoisotopic ions and their 34S-substituted counterparts for 67 S-containing monoisotopic ions. From these, we identified the specific elemental composition of 22 ions. Finally, we determined that six ions were derived from S-alk(en)ylcysteine sulfoxides and glutathione derivatives.
Authors Ryo Nakabayashi, Yuji Sawada, Yutaka Yamada, Makoto Suzuki, Masami Yokota Hirai, Tetsuya Sakurai, and Kazuki Saito
Reference Nakabayashi R et al. (2013) Analytical Chemistry 85: 1310-1315
Comment The metadata is prepared by the Metabolonote administrator (Sakurai N).

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The raw data files are available at DROM Met web site in PRIMe database of RIKEN.

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The web resources and information related to the species used in this study are available at Plant Genome Database Japan (PGDBj).

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Sample Information

Title Nonlabeled onion bulbs (12-week-old)
Organism - Scientific Name Allium cepa
Organism - ID NCBI taxonomy:4679
Compound - ID
Compound - Source
Preparation Nonlabeled onion bulbs (sections) were purchased from SI Science (Japan). Onion plants were grown under 12CO2 (1.1 atom % 13C) in a growth chamber. The plants were grown for 12 weeks under controlled conditions: day/night cycle, 14/10 h; temperature, 23/15 C (day/night); relative humidity, 75%/85% (day/night); light, 600 umol/m2; and hydroponics nutrient solution, Hoagland type. After cutting 12-week-old bulbs into 1-cm squares, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 C. The lyophilized materials were stored at room temperature with silica gel.
Sample Preparation Details ID

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