| SE24 | |
| Sample Set ID | SE24 |
| Title | Combination of Liquid Chromatography竏巽ourier Transform Ion Cyclotron Resonance-Mass Spectrometry with 13C窶銑abeling 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). |
| Experimental Conditions | conditions (1) |