SE37:/DS1

Sample Set Information

ID	SE37
Title	Medicago truncatula shoot metabolite analysis using stable isotopes
Description	Metabolites in the Medicago truncatula shoot are investigated by using stable isotope labelings. This analysis was performed to estimate the elemental composition with high reliability using the number of stable isotopes incorporated in the compound as an index and to add information to discuss the biosynthetic pathway. The Medicago seedlings were labeled with 13C, 15N, 18O, and 34S, respectively in the same condition. Following peak picking by using PowerFT (S01 to S16), the metabolite list was prepared from unlabeled data and blank data (S17). The isotopic peaks were searched and listed using ShiftedIonsFinder (S18). Moreover, the flavonoid-like peaks were also searched using ShiftedIonsFinder (S19).
Authors	AUTHERS; Kota Kera1, Yoshiyuki Ogata2, Takeshi Ara1, Yoshiki Nagashima1, Norimoto Shimada1,3, Nozomu Sakurai1. Daisuke Shibata1 and Hideyuki Suzuki1* AFFILIATION; 1 Kazusa DNA Research Institute, Kisarazu, Chiba 292-0818, Japan; 2 Graduate School of Life and Environmental Sciences, Osaka Prefecture University, Osaka 599-8531, Japan; 3 Present Address, Tokiwa Phytochemical Co.,Ltd. 158 Kinoko, Sakura, Chiba 285-0801, Japan
Reference	ShiftedIonsFinder: A standalone Java tool for finding peaks with specified mass differences by comparing the mass spectra of isotope-labeled and unlabeled data sets. Plant Biotechnology (2014) 3: 269-274 Pathway-specific metabolome analysis with 18O2-labeled Medicago truncatula via a mass spectrometry-based approach. Metabolomics (2018) 14:71
Comment

The original paper at Plant Biotechnology

The original paper at Metabolomics

Data Analysis Details Information

ID	DS1
Title	Peak extraction for unlabeled data
Description	In order to reduce noise peaks, the peaks were extracted as shown below. A raw data file was converted into a text file using MSGet software without a cutoff value, and peaks were extracted from the text files by PowerFT with parameters (intensity cut off in peak detection = 20000, margin of ion grouping in peak detection = 5, peak selection filter is set to default, intensity cut off in peak assignment = 1000).
Comment_of_details