SE223:/

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lower pageS001, S002, S003, S004, S005, S006, S007, S008, S009, S010, S011, S012, S013, S014, S015, S016, S017, S018, S019, S020, S021, S022, S023, S024, S025, S026, S027, S028, S029, S030, S031, S032, S033, S034, S035, S036, S037, S038, S039, S040, S041, S042, S043, S044, S045, S046, S047, S048, S049, S050, S051, S052, S053, S054, S055, S056, S057, S058, S059, S060, S061, S062, S063, S064, S065, S066, S067, S068, S069, S070, S071, S072, S073, S074, S075, S076, S077, S078, S079, S080, S081, S082, S083, S084, S085, S086, S087, S088, S089, S090, S091, S092, S093, S094, S095, S096, S097, S098, S099, S100, S101, S102, S103, S104, S105, S106, S107, S108, S109, S901, S902, S903, S904, S905, S906

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Sample Set Information

ID	SE223
Title	LC-MS based untargeted metabolome analysis of various samples
Description	Compounds in various samples were analyzed using liquid chromatography-mass spectrometry (LC-MS). The same analytical conditions are applied to all samples. Therefore, the compound peaks can be compared to each other by the mass values, the retention time of the LC, and the CID mass spectrum. The data were obtained for the construction of the “Thing Metabolome Repository” website (http://metabolites.in/things).
Authors	Nozomu Sakurai (National Institute of Genetics, Kazusa DNA Research Institute, email: sakurai (at) kazusa.or.jp)
Reference	The Thing Metabolome Repository family (XMRs): comparable untargeted metabolome databases for analyzing sample-specific unknown metabolites. Sakurai N, Yamazaki S, Suda K, Hosoki A, Akimoto N, Takahashi H, Shibata D and Aoki Y, Nucleic Acids Research Database Issue) 51 (D1): D660-D677 (2023), DOI: 10.1093/nar/gkac1058
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SE223 : [ LC-MS based untargeted metabolome analysis of various samples ]
- S001 : [ Dianthus Olivia, Flower, Flower bud / ナデシコオリビア, 花、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S002 : [ Dianthus Olivia, Leaf, Stem / ナデシコオリビア, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S003 : [ Dianthus, Flower / ナデシコ, 花 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S004 : [ Dianthus, Leaf, Stem / ナデシコ, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S005 : [ Euphorbia Snow Blizzard, Flower, Leaf, Stem / ユーフォルビアスノーブリザード, 花、葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S006 : [ Nemesia Nesia, Flower / ネメシアネシア, 花 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S007 : [ Nemesia Nesia, Leaf, Stem, Flower bud (small) / ネメシアネシア, 葉、茎、花芽（小） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S008 : [ Nemesia Nesia, Root (washed) / ネメシアネシア, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S009 : [ Cockscomb, Shoot (seedling) / ケイトウ, 地上部（幼植物） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S010 : [ Cigarette, Dried leaf part / 紙巻たばこ（乾燥した葉の部分） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S011 : [ Honey 1 / はちみつ 1 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S012 : [ Honey 2 / はちみつ 2 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S013 : [ Honey 3 / はちみつ 3 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S014 : [ Honey 4 / はちみつ 4 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S015 : [ Honey 5 / はちみつ 5 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S016 : [ Honey 6 / はちみつ 6 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S017 : [ Honey 7 / はちみつ 7 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S018 : [ Standard Berberine / 標品ベルベリン ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S019 : [ Kousa Dogwood, Leaf, Flower (young) / ヤマボウシ, 葉、花（若い） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S020 : [ Japanese spindle, Leaf (young), Flower / マサキ, 葉（若い）、花 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S021 : [ Camphor Laurel, Leaf, flower bud / クスノキ, 葉、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S022 : [ Japanese hawthorn, Flower, Flower stalk, Leaf, Flower bud / イワニガナ（ジシバリ）, 花、花茎、葉、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S023 : [ Red clover, Flower, Leaf, Stem, Flower bud / ムラサキツメクサ, 花、葉、茎、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S024 : [ White clover, Flower, Shoot / シロツメクサ, 花、地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S025 : [ Hydrangea, Leaf, Flower bud / アジサイ, 葉、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S026 : [ Carolina geranium, Flower, Flower bud, Leaf / アメリカフウロ, 花、花芽、葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S027 : [ Narrow-leaved Vetch, Shoot / ヤハズエンドウ, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S028 : [ Rose evening primrose, Shoot / ユウゲショウ, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S029 : [ Violet wood-sorrel, Shoot / ムラサキカタバミ, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S030 : [ Violet wood-sorrel, Bulb (washed) / ムラサキカタバミ, 球根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S031 : [ Large-flowered Waterweed, Leaf, Stem / オオカナダモ（アナカリス）, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S032 : [ Grape clearwing moth, Larva / ブドウスカシバ, 幼虫（ぶどう虫） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S033 : [ Earthrowm (for fishing) / ミミズ（釣り餌用） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S034 : [ Penis fish / ユムシ ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S035 : [ Ragworm (Aoisome) / アオゴカイ（アオイソメ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S036 : [ Ragworm (Akaisome) / アオゴカイ（アカイソメ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S037 : [ Ragworm (Gold) / アオゴカイ（ゴールド） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S038 : [ Saikokaryukotsuboreito (Extract Granules) / 柴胡加竜骨牡蛎湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S039 : [ Hangeshashinto (Extract Granules) / 半夏瀉心湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S040 : [ Orengedokuto (Extract Granules) / 黄連解毒湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S041 : [ Hangekobokuto (Extract Granules) / 半夏厚朴湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S042 : [ Goreisan (Extract Granules) / 五苓散（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S043 : [ Keishikajutsubuto (Extract Granules) / 桂枝加朮附湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S044 : [ Shoseiryuto (Extract Granules) / 小青竜湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S045 : [ Boiogito (Extract Granules) / 防已黄耆湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S046 : [ Shohangekabukuryoto (Extract Granules) / 小半夏加茯苓湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S047 : [ Shofusan (Extract Granules) / 消風散（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S048 : [ Tokishakuyakusan (Extract Granules) / 当帰芍薬散（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S049 : [ Kamishoyosan (Extract Granules) / 加味逍遙散（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S050 : [ Keishibukuryogan (Extract Granules) / 桂枝茯苓丸（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S051 : [ Keishikaryukotsuboreito (Extract Granules) / 桂枝加竜骨牡蛎湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S052 : [ Maoto (Extract Granules) / 麻黄湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S053 : [ Eppikajutsuto (Extract Granules) / 越婢加朮湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S054 : [ Cherry blossom Yamazakura-shidare, Leaf / サクラ（山桜枝垂）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S055 : [ Cherry blossom Hayazaki-oshima, Leaf / サクラ（早咲大島）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S056 : [ Cherry blossom Usubeni-kanzakura, Leaf / サクラ（淡紅寒桜）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S057 : [ Cherry blossom Somei-yoshino, Leaf / サクラ（染井吉野）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S058 : [ Cherry blossom Yedo-higan, Leaf / サクラ（エドヒガン）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S059 : [ Cherry blossom Oshima-zakura, Leaf / サクラ（オオシマザクラ）, 葉 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S060 : [ Cockscomb, Root (washed) / ケイトウ, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S061 : [ Euphorbia Snow Blizzard, Root (washed) / ユーフォルビア　スノーブリザード, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S062 : [ Madagascar periwinkle, Root (washed) / ニチニチソウ, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S063 : [ Perpetual begonia, Root (washed) / 四季咲きベゴニア, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S064 : [ Verbena, Root (washed) / バーベナ, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S065 : [ Dianthus Olivia, Root (washed) / ナデシコ　オリビア, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S066 : [ Dianthus, Root (washed) / ナデシコ, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S067 : [ Scarlet sage, Root (washed) / サルビア, 根（洗浄ずみ） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S068 : [ Bakumondoto (Extract Granules) / 麦門冬湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S069 : [ Shimbuto (Extract Granules) / 真武湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S070 : [ Goshuyuto (Extract Granules) / 呉茱萸湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S071 : [ Ninjinto (Extract Granules) / 人参湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S072 : [ Sarsley, Shoot / パセリ, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S073 : [ Rosemary (crawling), Shoot / ローズマリー（這性）, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S074 : [ Mint, Shoot / クールミント, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S075 : [ Lemon balm, Shoot / レモンバーム, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S076 : [ Basil, Shoot / バジル, 地上部 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S077 : [ Hop dried flower / ホップ乾燥毬花 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S078 : [ Coffee bean, roasted, arabica, / コーヒー豆焙煎後アラビカ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S079 : [ Coffee bean, roasted, robusta, / コーヒー豆焙煎後ロブスタ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S080 : [ Coffee, infusion, arabica, / コーヒー浸出液アラビカ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S081 : [ Coffee, infusion, robusta, / コーヒー浸出液ロブスタ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S082 : [ Daiobotampito (Extract Granules) / 大黄牡丹皮湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S083 : [ Byakkokaninjinto (Extract Granules) / 白虎加人参湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S084 : [ Shigyakusan (Extract Granules) / 四逆散（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S085 : [ Mokuboito (Extract Granules) / 木防已湯（エキス顆粒） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S086 : [ Coffee bean, unroasted, arabica, / コーヒー豆焙煎前アラビカ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S087 : [ Coffee bean, unroasted, robusta, / コーヒー豆焙煎前ロブスタ種, ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S088 : [ Fuchsia, Flower, Flower bud / フクシアプーニー, 花、花芽 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S089 : [ Fuchsia, Leaf, Stem, Flower bud (small) / フクシアプーニー, 葉、茎、花芽（小） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S090 : [ Bitter melon, Leaf, Stem, Vine / あばしゴーヤ, 葉、茎、つる ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S091 : [ Melon, Leaf, Stem / メロン, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S092 : [ Watermelon, Leaf, Stem / スイカ, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S093 : [ Cucumber 1, Leaf, Stem, Vine / キュウリ１, 葉、茎、つる ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S094 : [ Cucumber 2, Leaf, Stem, Vine / キュウリ２, 葉、茎、つる ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S095 : [ Perilla (Ao-shiso), Leaf, Stem / 青シソ, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S096 : [ Eggplant, Leaf and Petiole (excluding the part of feeding damage) / ナス, 葉および葉柄（虫食い部を除外） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S097 : [ Dog, Urine / イヌ, 尿 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S098 : [ Cat, Urine / ネコ, 尿 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S099 : [ Dry dog food / イヌ用ドライフード ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S100 : [ Luffa, Leaf, Stem, Vine / ヘチマ, 葉、茎、つる ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S101 : [ Tomato, Leaf, Stem / トマト, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S102 : [ Shishito pepper, Leaf and Stem (a bit damaged by feeding) / シシトウ, 葉および茎（やや虫食いあり） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S103 : [ Red pepper, Leaf, Stem / トウガラシ, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S104 : [ Green pepper, Leaf, Stem / ピーマン, 葉、茎 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S105 : [ Fava bean, Shell / ソラマメ, さや ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S106 : [ Fava bean, Bean / ソラマメ, 豆 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S107 : [ Sanvitalia Greatyellow, Flower / サンビタリアグレートイエロー, 花 ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S108 : [ Sanvitalia Greatyellow, Leaf, Stem, Flower bud (small) / サンビタリアグレートイエロー, 葉、茎、花芽（小） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S109 : [ Japanese pepper, Leaf, Stem (branch) / 葉サンショウ, 葉、茎（枝） ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection. ]
    - D9 : [ Valid peak detection and characterization ]
- S901 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
- S902 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M03 : [ LC-QTOF-MS, ESI, Positive ]
  - M04 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
  - M13 : [ LC-QTOF-MS, ESI, Negative ]
  - M14 : [ LC-QTOF-MS, ESI, Negative ]
- S903 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M03 : [ LC-QTOF-MS, ESI, Positive ]
  - M04 : [ LC-QTOF-MS, ESI, Positive ]
  - M05 : [ LC-QTOF-MS, ESI, Positive ]
  - M06 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
  - M13 : [ LC-QTOF-MS, ESI, Negative ]
  - M14 : [ LC-QTOF-MS, ESI, Negative ]
  - M15 : [ LC-QTOF-MS, ESI, Negative ]
  - M16 : [ LC-QTOF-MS, ESI, Negative ]
- S904 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M03 : [ LC-QTOF-MS, ESI, Positive ]
  - M04 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
  - M13 : [ LC-QTOF-MS, ESI, Negative ]
  - M14 : [ LC-QTOF-MS, ESI, Negative ]
- S905 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
- S906 : [ Mock ]
  - M01 : [ LC-QTOF-MS, ESI, Positive ]
  - M02 : [ LC-QTOF-MS, ESI, Positive ]
  - M03 : [ LC-QTOF-MS, ESI, Positive ]
  - M04 : [ LC-QTOF-MS, ESI, Positive ]
  - M11 : [ LC-QTOF-MS, ESI, Negative ]
  - M12 : [ LC-QTOF-MS, ESI, Negative ]
  - M13 : [ LC-QTOF-MS, ESI, Negative ]
  - M14 : [ LC-QTOF-MS, ESI, Negative ]
- SS1 : [ Homogenated and stored at -80 C ]
- MS01 : [ LC-Q-Tof-MS, ESI, Positive ]
- MS11 : [ LC-Q-Tof-MS, ESI, Negative ]
- DS1 : [ Peak detection, alignment and characterization using PowerGetBatch ]
- AM1 : [ Characterization by compound database search and FlavonoidSearch ]

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