SE228:/

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Sample Set Information

ID	SE228
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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SE228 : [ LC-MS based untargeted metabolome analysis of various samples ]
- S001 : [ Purple-black rice (Asamurasaki), Grain, raw (brown rice) / 紫黒米（朝紫）, 玄米 ]
  - 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 : [ Rice oil (Solvent extract) / 米油（溶媒抽出） ]
  - 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 : [ Rice oil (Compressed) / 米油（圧搾原油） ]
  - 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 : [ Cake flour / 薄力粉 ]
  - 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 : [ Tempura flour / てんぷら粉 ]
  - 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 : [ AG medium (for Azospirillum sp., unused) / AG培地（Azospirillum sp.培養用、未使用） ]
  - 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 ]
- S007 : [ AG medium supernatant (after culturing Azospirillum sp. B510) / AG培地上清（Azospirillum sp. B510培養後） ]
  - 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 : [ Azospirillum sp. B510, Cell / Azospirillum sp. B510株, 菌体 ]
  - 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 : [ MSC medium (for Methylobacterium indicum, unused) / MSC培地（Methylobacterium indicum培養用、未使用） ]
  - 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 ]
- S010 : [ MSC medium supernatant (after culturing Methylobacterium indicum SE2.11) / MSC培地上清（Methylobacterium indicum SE2.11培養後） ]
  - 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 : [ Methylobacterium indicum SE2.11, Cell / Methylobacterium indicum SE2.11株, 菌体 ]
  - 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 : [ Bukuryoingohangekobokuto (Extract Granules) / 茯苓飲合半夏厚朴湯（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 ]
- S013 : [ Hitotsumatsu seaweed / ヒトツマツ ]
  - 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 : [ Benisunago seaweed / ベニスナゴ ]
  - 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 : [ Iwanokawa seaweed / イワノカワ属 ]
  - 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 : [ Ogonori seaweed / オゴノリ ]
  - 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 : [ Ogonori seaweed, Alga body with cysts / オゴノリ, 嚢果のついた藻体 ]
  - 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 : [ Mizoogonori seaweed / ミゾオゴノリ ]
  - 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 : [ Fushitsunagi seaweed / フシツナギ ]
  - 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 : [ Magiresozo seaweed / マギレソゾ ]
  - 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 : [ Kamogashiranori seaweed / カモガシラノリ ]
  - 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 : [ Benimadara seaweed / ベニマダラ ]
  - 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 : [ Hitoegusa seaweed / ヒトエグサ ]
  - 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 : [ Sujiaonori seaweed (including sand) / スジアオノリ（砂多く含む） ]
  - 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 : [ Botan-aosa seaweed / ボタンアオサ ]
  - 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 : [ Anaaosa seaweed / アナアオサ ]
  - 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 : [ Kaigoromo seaweed / カイゴロモ ]
  - 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 : [ Daidaiisokaimen (a kind of sponge) / ダイダイイソカイメン ]
  - 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 ]
- S029 : [ Siroboya (a kind of sea squirt) / シロボヤ ]
  - 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 : [ Vase tunicate (a kind of sea squirt, NBRP), Sperm / カタユウレイボヤ (NBRP), 精子 ]
  - 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 : [ Vase tunicate (a kind of sea squirt, NBRP), Egg / カタユウレイボヤ (NBRP), 卵 ]
  - 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 : [ Whisky 1 (Japanese) / ウィスキー1（日本） ]
  - 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 : [ Beer 1 (Japanese) / ビール1（日本） ]
  - 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 : [ Beer 2 (Japanese) / ビール2（日本） ]
  - 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 : [ Beer 3 (Japanese) / ビール3（日本） ]
  - 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 : [ Beer 4 (Japanese) / ビール4（日本） ]
  - 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 : [ Beer 5 (Japanese) / ビール5（日本） ]
  - 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 : [ Whisky 2 (Scotch) / ウィスキー2（スコッチ） ]
  - 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 : [ Whisky 3 (Scotch) / ウィスキー3（スコッチ） ]
  - 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 : [ Whisky 4 (American) / ウィスキー4（アメリカ） ]
  - 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 : [ Whisky 5 (Scotch) / ウィスキー5（スコッチ） ]
  - 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 : [ Whisky 6 (Scotch) / ウィスキー6（スコッチ） ]
  - 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 : [ Whisky 7 (Scotch) / ウィスキー7（スコッチ） ]
  - 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 : [ Whisky 8 (Scotch) / ウィスキー8（スコッチ） ]
  - 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 : [ Whisky 9 (Scotch) / ウィスキー9（スコッチ） ]
  - 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 : [ Whisky 10 (Scotch) / ウィスキー10（スコッチ） ]
  - 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 : [ Common gromwell, European stoneseed 1, Leaf / セイヨウムラサキ1, 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 ]
- S048 : [ Common gromwell, European stoneseed 2, Leaf / セイヨウムラサキ2, 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 ]
- S049 : [ Red-root gromwell, Leaf / ムラサキ, 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 ]
- S050 : [ Ginkgo, Seed (Ginkgo nut, raw) / イチョウ, 種子（ギンナン、生） ]
  - 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 : [ Maize, Seed / トウモロコシ, 種子 ]
  - 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 : [ Ear fungus (dried) / 黒きくらげ（乾燥） ]
  - 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 : [ Tomato Micro-Tom, Mock control 2 days, Leaf / トマト Micro-Tom、Mock処理2日後, 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 ]
- S054 : [ Tomato Micro-Tom, Methyl jasmonate (MeJA) treatment 2 days, Leaf / トマト Micro-Tom、ジャスモン酸メチル（MeJA）処理2日後, 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 : [ Standard Tomatidine / 精製標品トマチジン (Tomatidine) ]
  - 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 : [ Standard beta-Sitosterol / 精製標品 β-シトステロール (beta-Sitosterol) ]
  - 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 : [ Standard Campesterol / 精製標品カンペステロール（Campesterol） ]
  - 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 : [ Ear fungus (dried) / 黒きくらげ（乾燥） ]
  - 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 : [ Tomato Micro-Tom, Mock control 2 days, Leaf / トマト Micro-Tom、Mock処理2日後, 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 : [ Tomato Micro-Tom, Methyl jasmonate (MeJA) treatment 2 days, Leaf / トマト Micro-Tom、ジャスモン酸メチル（MeJA）処理2日後, 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 ]
- S061 : [ Standard Tomatidine / 精製標品トマチジン (Tomatidine) ]
  - 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 : [ Standard beta-Sitosterol / 精製標品 β-シトステロール (beta-Sitosterol) ]
  - 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 : [ Standard Campesterol / 精製標品カンペステロール（Campesterol） ]
  - 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 ]
  - 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 ]
- 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 ]
  - 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 ]
- 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 ]
  - 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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