SE157:/S1

Sample Set Information

ID	TSE1313
Title	Top-down Metabolomic Approaches for Nitrogen-Containing Metabolites.
Description	Streamlining the processes that reveal heteroatom-containing metabolites and their biosynthetic genes is essential in integrated metabolomics studies. These metabolites are especially targeted for their potential pharmaceutical activities. By using a Fourier-transform ion cyclotron resonance-mass spectrometry (FTICR-MS) instrument, we provide top-down targeted metabolomic analyses using ultrahigh-resolution liquid chromatography-mass spectrometry (LC-MS), high-resolution matrix-assisted laser desorption/ionization (MALDI), and high-resolution imaging mass spectrometry (IMS) with 15N labeling of nitrogen-containing metabolites. In this study, we efficiently extract known and unknown chemicals and spatial information from the medicinal plant Catharanthus roseus, which sources several cancer drugs. The ultrahigh-resolution LC-MS analysis showed that the molecular formula of 65 N-metabolites were identified using the petals, peduncles, leaves, petioles, stems, and roots of the non- and 15N-labeled Catharanthus plants. The high resolution MALDI analysis showed the molecular formula of 64 N-metabolites using the petals, leaves, and stems of the non- and 15N-labeled Catharanthus. The chemical assignments using molecular formulas stored in databases identified known and unknown metabolites. The comparative analyses using the assigned metabolites revealed that most of the organ-specific ions are derived from unknown N-metabolites. The high-resolution IMS analysis characterized the spatial accumulation patterns of 32 N-metabolites using the buds, leaves, stems, and roots in Catharanthus. The comparative analysis using the non- and 15N-labeled IMS data showed the same spatial accumulation patterns of a non- and 15N-labeled metabolite in the organs, showing that top-down analysis can be performed even in IMS analysis.
Authors	Nakabayashi R, Hashimoto K, Toyooka K, Saito K.
Reference	Anal Chem. 2017 Mar 7;89(5):2698-2703. doi: 10.1021/acs.analchem.6b04163. Epub 2017 Feb 22.
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PubMed

Sample Information

ID	S1
Title	Catharanthus roseus
Organism - Scientific Name	Catharanthus roseus
Organism - ID	NCBI taxonomy:4058
Compound - ID
Compound - Source
Preparation	All analyses were performed on Catharanthus roseus (Equator White Eye, Sakata Seed Corporation). Non- and 15N-labeled Catharanthus plants were purchased from Shoko Science Co., Ltd.. The plants were individually grown in pots filled with vermiculite. The pots were placed in a plant growth room under a 16/8 h light/dark cycle with an illuminance of 252–420 μm olm–2 s–1 during the light period. The temperature was maintained at 20–25 °C. The plants were fed daily with a non- or 15N-labeled liquid fertilizer (Table S1 in the Supporting Information), and watered every 2–3 days. After 8 weeks of growth, the flowers, petals, peduncles, leaves, petioles, stems, and roots of the non- and 15N-labeled Catharanthus plants were harvested and immediately lyophilized at −55 °C. The lyophilized materials were stored at room temperature with silica gel. The labeling rate of 15N was approximately 95.3%.
Sample Preparation Details ID
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