SE14:/S02/M02/D03

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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

ID	S02
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. Samples are harvested at October 2011.
Sample Preparation Details ID
Comment	[KomicMarket ID] KSBA_49

ID	M02
Title	LC-FTICR-MS, ESI Positive analysis
Method Details ID	MS1
Sample Amount	6.7mg
Comment	[MassBase ID] MDLC1_28972

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

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

ID	D03
Title	PowerGet data analysis for KomicMarket
Data Analysis Details ID	DS3
Recommended decimal places of m/z	6\|ITMS 2
Comment	[KomicMarket ID] KSBA_49

ID	DS3
Title	PowerGet analysis for detection of all peaks (C3)
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).
Comment_of_details