SE11:/S02/M02/D03

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Sample Set Information

ID	SE11
Title	Comparison of fruit metabolites among tomato varieties 2
Description	Comparison of tomato fruit metabolites. 2 caltivars (Furikoma, Micro-Tom) and 6 original species (S. peruvianum LA0372, S. pennellii LA0716, S. galapagense LA1408, S. pimpinellifolium LA1589, S. habrochaites LA1777, S. peruvianum LA3858), 3 replicates data are examined. The color of fruit of S. peruvianum and S. pennellii are green, others are red.
Authors	Takeshi Ara 1, Naoki Yamamoto 1, Kunihiro Suda 1, Tatsuya Suzuki 2, Taneaki Tsugane 2, Yoshihiko Morishita 1, Mitsuo Enomoto 1, Nozomu Sakurai 1, Hideyuki Suzuki 1, Daisuke Shibata 1, 1: Kazusa DNA Research Institute, 2: Chiba Prefectural Agriculture Research Center
Reference	Direct Submittion
Comment	version 2

ID	S02
Title	Solanum peruvianum LA0372 Fruit
Organism - Scientific Name	Solanum peruvianum
Organism - ID	NCBI taxonomy:4082
Compound - ID
Compound - Source
Preparation	Solanum peruvianum were grown in a greenhouse. Seeds were sown at May 11. Temporary planting was done at May 31 and fix planting was done at June 28 in the pots with synthetic molding "Genkikun kana 200" (www.co-op.co.jp/index/seihin/hiryou_9.html). Plants were treated by growth hormone medicine (Tomatoton). Tomato fruits were harvested at September 28 in 2011.
Sample Preparation Details ID
Comment	[KomicMarket ID] KSBA_33

ID	M02
Title	LC-FTICR-MS, ESI Positive analysis
Method Details ID	MS1
Sample Amount	6.7mg
Comment	[MassBase ID] MDLC1_32681

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=235.1800, 308.0000, 376.0400, 378.0300, 469.3500, 540.6100, 609.2800, 782.5700, 810.4200, 1101.7000, 1123.6800.
Comment_of_details

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_33

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