SE12:/S04/M03/D02

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Sample Set Information

ID SE12
Title Effect of agricultural films for spinach leaf metabolites
Description Investigation of Spinacia oleracea leaf metabolites. 2 cultivars (Nihon and Wasesaradaakari), 2 growth conditions (normal film and UV film) and 3 replicates data are examined.
Authors Takeshi Ara 1, Naoki Yamamoto 1, Kunihiro Suda 1, Mitsuo Enomoto 1, Nozomu Sakurai 1, Hideyuki Suzuki 1, Tatsuya Suzuki 2, Daisuke Shibata 1, 1: Kazusa DNA Research Institute, 2: Chiba Prefectural Agriculture Research Center
Reference Direct Submittion
Comment version 2


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The web resources and information related to the species used in this study are available at Plant Genome Database Japan (PGDBj).

Sample Information

ID S04
Title Spinacia oleracea Wasesaradaakari Leaf
Organism - Scientific Name Spinacia oleracea
Organism - ID NCBI taxonomy:3562
Compound - ID
Compound - Source
Preparation Spinacia oleracea are grown at agricultural field in natural conditions under UV cut film.
Sample Preparation Details ID
Comment [KomicMarket ID] KSBA_43

Analytical Method Information

ID M03
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS1
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_30738


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The raw (binary) and near-raw (text) files of this analysis are available at MassBase.

Analytical Method Details Information

ID MS1
Title LC-FT-ICR-MS ESI positive method 1
Instrument Agilent1100 HPLC (Agilent), LTQ-FT (Thermo Fisher Scientific)
Instrument Type LC-FTICR-MS
Ionization ESI
Ion Mode Positive
Description Harvested sample is frozen by liquid N2 and resulting powder (100mg) are solved in 300uL 80% methanol solution. 20uL sample is injected into HPLC after 0.2um membrane filter treatment. HPLC conditions: Agilent 1100 series (Agilent), Column: TSKgel-100V (4.6 x 250 mm, 5 micrometer; TOSOH), Solvent: A; 0.1% formic acid aq. B; ACN (addition 0.1% formic acid fc.), Gradient: (B);3 to 97% (0.0 to 45.0 min), 97% (45.1 to 50.0 min), 3% (50.1 to 57.0 min), Column temp.: 40 degree C, Flow rate=0.5mL/min, PDA: 200-650 nm (2 nm step). FT-ICR-MS conditions: Filter 1: FTMS + c norm !corona !pi res=100000 o(100.0-1500.0); 2: ITMS + c norm !corona !pi Dep MS/MS Most intense ion from (1); 3: ITMS + c norm !corona !pi Dep MS/MS 2nd most intense ion from (1); 4: ITMS + c norm !corona !pi Dep MS/MS 3rd most intense ion from (1); 5: ITMS + c norm !corona !pi Dep MS/MS 4th most intense ion from (1); 6: ITMS + c norm !corona !pi Dep MS/MS 5th most intense ion from (1)., Rejected mass=235.1800, 266.2300, 376.0400, 378.0400, 469.3500, 540.6000, 609.2800, 734.5700, 760.5900, 786.6000, 810.4200, 1065.6400, 1101.7000, 1118.7200, 1123.6800.
Comment_of_details


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The data can be compared with the data SE16_MS1

Data Analysis Information

ID D02
Title PowerGet data analysis for KomicMarket2
Data Analysis Details ID DS2
Recommended decimal places of m/z 6|ITMS 2
Comment


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The peak data files written in TogoMD format are downloadable at the KomicMarket2 temporary web site.

Data Analysis Details Information

ID DS2
Title PowerGet analysis for detection of all peaks (B3)
Description Raw data files are converted to text file by MSGet software without cut off value and peaks are extracted from the text files by PowerFT with parameters (intensity cut off=5000, peak selection filter is default, intensity cut off in peak assignment=1000). The replicates data are aligned by PowerMatch with blank data. The alignment is manually edited. Assigned peaks observed in multiple replicate samples are selected for annotation process.
Comment_of_details
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