SE122:/

From Metabolonote

lower pageS010801, S010831, S011311, S011511, S020061, S020101, S040011, S040171, S040231, S040232, S050081, S050401, S070151, S070881, S071161, S071341, S91, S92, S93, S94, S95, S101001, S101341, S170361, S170631, S170761

jump-to-nav Jump to: navigation, search

Sample Set Information

ID	SE122
Title	Untargeted metabolome analysis of foods using LC-MS (11) / LC-MSによる食品のノンターゲットメタボローム解析 (11)
Description	Untargeted metabolome analyses of foods were performed using LC-MS. Food items were selected from the Standard Tables of Food Composition in Japan-2005 (Seventh Revised Version) published by the Ministry of Education, Culture, Sports, Science and Technology, Japan (hereafter, refered to as the standard table). Metabolites in foods were extracted with methanol, separated by reversed-phase LC and detected using a high-resolution mass spectrometry (LTQ-FT, ThermoFisher Scientific). Two different conditions (Method 1, and Method 5) were applied to ESI positive mode detections, and Method 1 was applied to ESI negative mode detection. A series of different parameter settings for PowerGetBatch software were used for peak detection, and valid peaks were selected by an alignment of the resulted peaks with those detected from several mock samples. The detailed peak information including the results from compound database search and prediction of flavonoid aglycones using FlavonoidSearch were published from the Food Metabolome Repository (http://metabolites.in/foods). The IDs mean as follows: Sample ID: Prefix "S" + Food Item No. in the standard table + blanch No. ∗ The basic blanch No. is 1, and larger numbers were assigned for different types of the food items, and so on. M01: Method 1 for accurate mass measurement in ESI positive mode M11: Method 1 for accurate mass measurement in ESI negative mode M05: Method 5 for acquire MS3 spectrum in ESI positive mode M90, M91: Pseudo analysis representing a set of analyses used in the alignment for each positive and negative analysis, respectively [Japanese] LC-MSを用いて食品をノンターゲットメタボローム分析した。食品は、日本食品標準成分表2015年版（七訂）（文部科学省）（以後「食品成分表」）から代表的なものを選んだ。メタノール抽出後、逆相HPLCで分離し、高分解能フーリエ変換型質量分析（LTQ-FT, ThermoFisher Scientific）による分析を行った。一つの食品につき、二つの異なる条件（Method 1, Method 5）でESIポジティブ分析を行い、精密質量値とMS2、MS3スペクトルを得た。ESIネガティブ分析は、１つの条件で精密質量値とMS2スペクトルを得た。ピーク検出は、PowerGetBatchソフトの異なるパラメーター設定による複数回の検出結果をアラインメントし、同時にアラインメントした試料の代わりに水を用いたMock分析データを差し引くことで実施した。検出されたピーク情報から、データベース検索、FlavonoidSearchによるフラボノイドアグリコンの推定を行った結果は、食品メタボロームレポジトリ（http://metabolites.in/foods ）から公開している。各IDは以下を示すサンプルID：接頭辞S + 食品成分表の食品番号 + 枝番（1, 2） ※枝番は1から始まり、同じ食品を何種類か分析した場合などに2以上を付した。 M01：Method 1（精密質量分析用）によるESIポジティブ分析 M11：Method 1（精密質量分析用）によるESIネガティブ分析 M05：Method 5（MS3スペクトル取得用）によるESIポジティブ分析 M90, M91：アラインメントに用いた分析データ（複数）を示すための疑似的な分析
Authors	Sakurai N1,2, Suda K1, Akimoto N1, Osawa S1 (1 Kazusa DNA Research Institute, 2 National Institute of Genetics), Contact: sakurai AT nig.ac.jp (replace AT with @) [Japanese] 櫻井望1,2、須田邦裕1、秋元奈弓1、大澤祥子1（1 かずさDNA研究所, 2 国立遺伝学研究所）
Reference	Sakurai N and Shibata D. Tools and databases for an integrated metabolite annotatio environment for liquid chromatography-mass spectrometry-based untargeted metabolomics. Carotenoid Science 22: 16-22 (2017)
Comment

The peak details and raw data are available here

All Open All Close

SE122 : [ Untargeted metabolome analysis of foods using LC-MS (11) / LC-MSによる食品のノンターゲットメタボローム解析 (11) ]
- S010801 : [ 01080 こめ　［水稲穀粒］　玄米　, Rice, paddy rice, brown rice, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S010831 : [ 01083 こめ　［水稲穀粒］　精白米　うるち米, Rice, paddy rice, non-glutinous, well-milled, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S011311 : [ 01131 とうもろこし　玄穀　黄色種　, Corn, whole grain, yellow kernel, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S011511 : [ 01151 こめ　［水稲穀粒］　精白米　もち米, Rice, paddy rice, glutinous rice, well-milled, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S020061 : [ 02006 ＜いも類＞（さつまいも類）　さつまいも　塊根　皮むき　生, Sweet potato, tuberous root, without skin, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S020101 : [ 02010 ＜いも類＞（さといも類）　さといも　球茎　生, Taro, "Satoimo", corm, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S040011 : [ 04001 あずき　全粒　乾, Adzuki beans, mature seeds, whole, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S040171 : [ 04017 ささげ　全粒　乾, Cowpeas, mature seeds, whole, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S040231 : [ 04023_1 だいず　［全粒・全粒製品］　全粒　国産　黄大豆　乾, Soybeans, mature seeds, whole, domestic, yellow seed coats, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S040232 : [ 04023_2 だいず　［全粒・全粒製品］　全粒　国産　黄大豆　乾 (小糸在来), Soybeans, mature seeds, whole, domestic, yellow seed coats, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S050081 : [ 05008 ぎんなん　生, Ginkgo nuts, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S050401 : [ 05040 アーモンド　いり　無塩, Almonds, roasted, without salt ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S070151 : [ 07015 いちじく　生, Figs, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S070881 : [ 07088 （なし類）　日本なし　生, Pears, sand pears*, raw[Syn. Nashi pears] ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S071161 : [ 07116 ぶどう　生, Grapes, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S071341 : [ 07134 メロン　温室メロン　生, Muskmelon, greenhouse culture, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S91 : [ Mock 1 ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
- S92 : [ Mock 2 ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
- S93 : [ Mock 3 ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
- S94 : [ Mock 4 ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
- S95 : [ Mock 5 ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
- S101001 : [ 10100 ＜魚類＞（かれい類）　まがれい　生, Fish, righteye flounder, brown sole, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S101341 : [ 10134 ＜魚類＞（さけ・ます類）　しろさけ　生, Fish, salmon and trout, chum salmon, raw ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S170361 : [ 17036 ＜調味料類＞（トマト加工品類）トマトケチャップ, Tomato products, ketchup ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S170631 : [ 17063 ＜香辛料類＞こしょう　黒　粉, Spices, pepper, black, ground ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- S170761 : [ 17076 ＜香辛料類＞にんにく　おろし, Spice, garlic, paste ]
  - M01 : [ Method 1: ESI Positive, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M05 : [ Method 5: ESI Positive, Data dependent MS2/MS3 scan (FT, IT, IT) ]
    - D5 : [ Peak detection (Method 5) ]
  - M11 : [ Method 1: ESI Negative, Data dependent MS2 scan (FT, IT) ]
    - D1 : [ Peak detection (Method 1, Setting 1) ]
    - D2 : [ Peak detection (Method 1, Setting 2) ]
    - D3 : [ Peak detection (Method 1, Setting 3) ]
  - M90 : [ PSEUDO: Positive, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
  - M91 : [ PSEUDO: Negative, A set of analyses for valid peak selection ]
    - D9 : [ Valid peak selection by alignment and characterization ]
- SS1 : [ Preparation of food samples ]
- MS01 : [ LC-FT-MS, ESI, Positive (method 1) ]
- MS05 : [ LC-FT-MS, ESI, Positive (method 5) ]
- MS11 : [ LC-FT-MS, ESI, Negative (method 1) ]
- DS1 : [ Peak detection using PowerGetBatch ]
- DS2 : [ Selection of valid peaks by alignment using PowerGetBatch ]
- AM1 : [ Characterization by compound database search and FlavonoidSearch ]

SE122:/

Sample Set Information

Personal tools

View and Edit Metadata

Variants

Views

Actions

Search

Navigation

Active User Ranking

Toolbox