SE14:/S04/M03/D01

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Sample Set Information

ID SE14
Title Effect of agricultural films for tomato fruit metabolites
Description Investigation of Solanum lycopersicum fruit metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultural film), 2 years and 3 replicates data are examined. The data files of SE3_S01 are reused as SE14_S03 for this analysis.
Authors Takeshi Ara 1, Naoki Yamamoto 1, Yoshihiko Morishita 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 Solanum lycopersicum Lovely ai Fruit
Organism - Scientific Name Solanum lycopersicum
Organism - ID NCBI taxonomy:4081
Compound - ID
Compound - Source
Preparation Solanum lycopersicum are grown at agricultural field in natural conditions under normal film. Samples are harvested at October 2011.
Sample Preparation Details ID
Comment [KomicMarket ID] KSBA_50

Analytical Method Information

ID M03
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS1
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_28970


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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 50% (0.0 to 20.0 min), 50 to 90% (20.0 to 40.0 min), 90% (40.0 to 45.0 min), 95% (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=294.2600, 376.0400, 609.2800, 810.4200, 1123.6800.
Comment_of_details


link=SE3_MS1

The data can be compared with the data obtained by the method SE3_MS1

Data Analysis Information

ID D01
Title PowerGet data analysis for Bio-MassBank
Data Analysis Details ID DS1
Recommended decimal places of m/z 6|ITMS 2
Comment


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The mass spectrum data are available at Bio-MassBank.

Data Analysis Details Information

ID DS1
Title PowerGet analysis for annotation of peaks with MS/MS (A3)
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. Assigned peaks with clear MS2 data are selected for the registration of Bio-MassBank.
Comment_of_details
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