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Sample Set Information

ID SE198
Title Untargeted metabolome analysis of 15N- or 34S-labeled plants (lettuce) / 15Nまたは34S全標識した植物のLC-MSメタボローム解析(レタス)
Description Untargeted metabolome analyses of lettuce were performed using liquid chromatography – mass spectrometry (LC-MS). This data acquisition aims at an improvement of peak annotation by using plant samples that were fully labeled with stable isotope 15N or 34S.

Two lettuce varieties, Leaf Lettuce Green and King Crown were used.

The information of the peaks detected in Leaf Lettuce Green was available at the Plant Metabolome Repository website (



リーフレタスグリーンで検出されたピークは、植物メタボロームレポジトリ ( から公開されている。

Authors Sakurai N1,2, Suda K1, Akimoto N1, Hoshi K1, Osawa S1, Ikeda C1, Ozawa K1, Yamada M1, Muneto R1, Shibata D1 (1 Kazusa DNA Research Institute, 2 National Institute of Genetics), Contact: sakurai AT (replace AT with @)

櫻井望1,2、須田邦裕1、秋元奈弓1、星久美1、大澤祥子1、池田千晶1、小澤馨史1、山田学1、宗藤玲子1、柴田大輔1(1 かずさDNA研究所, 2 国立遺伝学研究所)


Data Analysis Details Information

Title Selection of valid peaks by alignment using PowerGetBatch
Description The detected peaks in the samples with high- and low-resolution analyses and in the mock samples were aligned using PowerGetBatch software for each positive and negative mode. The reproducibly detected peaks in the samples and absent in the mock samples were selected as valid peaks. The selection was performed manually using Microsoft Excel with consideration of the analytical replications of the sample. The most intense and major patterns of the MS2 and MS3 spectra were selected among the alignment results for each peak. Searching candidate compounds in compound databases and prediction of flavonoid aglycones using FlavonoidSearch system for valid peaks were performed as described in the annotation details AM1.

The samples used for the alignment are shown in the Plant Metabolome Repository website (

The alignment parameter is available at the Plant Metabolome Repository website (


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