SE205:/S06/M90/D9
Sample Set Information
ID | SE205 |
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Title | Untargeted metabolome analysis of plants (6 species) using LC-MS / LC-MSを用いた植物(6種)のノンターゲットメタボローム解析 |
Description | Untargeted metabolome analyses of plants (6 species) using liquid chromatography-mass spectrometry (LC-MS).
The information on the peaks detected in this study was available at the Plant Metabolome Repository website (http://metabolites.in/plants).
検出されたピークは、植物メタボロームレポジトリ (http://metabolites.in/plants) から公開されています。 |
Authors | Sakurai N1,2, Suda K1, Hasebe M3, Ishikawa M3, Kohchi T4, Nishihama R4, Nakai A4, Demura T5, Sano R5, Ohtani M6, Ihara A6, Susa F7, 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, 3 National Institute of Basic Biology, 4 Kyoto Univ., 5 Nara Institute of Science and Technology, 6 Tokyo Univ., 7 RIKEN CSRS), Contact: sakurai AT nig.ac.jp (replace AT with @)
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Reference | |
Comment |
Sample Information
ID | S06 |
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Title | Marchantia polymorpha, culture medium |
Organism - Scientific Name | Marchantia polymorpha |
Organism - ID | NCBI taxonomy: 3197 |
Compound - ID | |
Compound - Source | |
Preparation | |
Sample Preparation Details ID | |
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Analytical Method Information
ID | M90 |
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Title | PSEUDO: Positive, A set of analyses for valid peak selection |
Method Details ID | |
Sample Amount | |
Comment | This metadata represents a set of data obtained below for the convenience of the subsequent data analysis, including peak alignment between the data.
SE205_S06_M01 (http://metabolonote.kazusa.or.jp/SE205:/S06/M01) SE205_S06_M05 (http://metabolonote.kazusa.or.jp/SE205:/S06/M05) SE205_S92_M01 (http://metabolonote.kazusa.or.jp/SE205:/S92/M01) SE205_S92_M02 (http://metabolonote.kazusa.or.jp/SE205:/S92/M02) SE205_S92_M03 (http://metabolonote.kazusa.or.jp/SE205:/S92/M03) |
Data Analysis Information
ID | D9 |
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Title | Valid peak selection by alignment and characterization |
Data Analysis Details ID | DS1 |
Recommended decimal places of m/z | default |
Comment |
Data Analysis Details Information
ID | DS1 |
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Title | Peak detection, alignment and characterization using PowerGetBatch |
Description | The PowerGetBach software (version 0.5.4, http://www.kazusa.or.jp/komics/software/PowerGetBatch) was used for peak detection. In the case of the sample with more than three biological or technical replications, a single parameter setting for high resolution (Method 1-4) was applied for peak detection. In the case of the sample without replications, a single raw datum was processed using three different parameter settings for high resolution (Method 1-4). The data obtained in low-resolution settings (Method 5 and 7) was processed with a single parameter setting. The detailed peak detection parameters for PowerGetBatch are available at the Plant Metabolome Repository website (http://metabolites.in/plants/data/PGB_params.zip).
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. |
Comment_of_details |