SE10:/S01/M02/D01

Sample Set Information

ID	SE10
Title	Effect of phosphorus nutrition for cabbage metabolites
Description	Investigation of Brassica oleracea var. capitata Hatukoi leaf metabolites. 3 growth conditions (high, low and no phosphorus nutrition) 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 3

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

http://pgdbj.jp/plantdb/plantinfo.html?ln=en&cmd=entry&ppid=t3712

Sample Information

ID	S01
Title	Brassica oleracea var. capitata Hatukoi Leaf
Organism - Scientific Name	Brassica oleracea var. capitata
Organism - ID	NCBI taxonomy:3716
Compound - ID
Compound - Source
Preparation	Brassica oleracea var. capitata plants are grown in the open field with high phosphorus condition (273.4kg/10a).
Sample Preparation Details ID
Comment	[KomicMarket ID] KSBA_19

Analytical Method Information

ID	M02
Title	LC-FTICR-MS, ESI Positive analysis
Method Details ID	MS1
Sample Amount	6.7mg
Comment	[MassBase ID] MDLC1_29098

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=294.2600, 376.0400, 609.2800, 810.4200, 1123.6800.
Comment_of_details

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

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