SE20:/MS1

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Sample Set Information

ID	SE20
Title	Arabidopsis thaliana leaf metabolite analysis for a software test
Description	Investigation of Arabidopsis thaliana leaf metabolites. The raw data file obtained from M01 was used one of the data files that were investigated to optimize the parameters of PowerGet software for better metabolite annotation in high-throughput metabolome analyses. The analysis data of D01 was annotated manually and was used as a reference to annotate peak data from different parameters. The analysis data of D01 was registered in KomicMarket.
Authors	Takeshi Ara, Ryosuke Sasaki, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Daisuke Shibata, Kazusa DNA Research Institute
Reference	Direct Submittion
Comment	version 1

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), 90 to 95% (45.1 to 50.0 min), 95% (50.1 to 55.0 min), 95% to 97% (55.1 to 60.0 min), 97% ((60.1 to 62.0 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)., Rejected mass=235.1800, 376.0400, 609.2800, 810.4100, 1123.6800.
Comment_of_details