SE4:/S01/M03/D03

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Sample Set Information

ID SE4
Title Dicksonia antarctica leaf metabolite analysis
Description Investigation of Dicksonia antarctica Leaf metabolites. 5 replicates data are examined.
Authors Takeshi Ara, Daisuke Nakajima, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Koei Okazaki, Daisuke Shibata, Kazusa DNA Research Institute
Reference Direct Submittion
Comment version 5


SE4 S01 200.jpg

Photo: Dicksonia antarctica (harvested sample (S01)) at Nambo Paradise Botanical Garden, Tateyama, Chiba, Japan (Feb 2008).

Sample Information

ID S01
Title Dicksonia antarctica Leaf
Organism - Scientific Name Dicksonia antarctica
Organism - ID NCBI taxonomy:3271
Compound - ID
Compound - Source
Preparation Dicksonia antarctica leaves are harvested at Nambo Paradise Botanical Garden, Tateyama, Chiba, Japan.
Sample Preparation Details ID
Comment [KomicMarket ID] KSBA_25

Analytical Method Information

ID M03
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS3
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_12321


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The raw (binary) and near-raw (text) files of this analysis are available at MassBase.

Analytical Method Details Information

ID MS3
Title LC-FT-ICR-MS ESI positive method 3
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. The solution is dried up and is subjected to acid hydrolysis by 1.8% butanol/HCl, 95 degree C, 1hr. Butanol fraction is dried up and 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 30% (0.0 to 20.0 min), 50 to 90% (20.0 to 35.0 min), 90% (35.0 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, 376.0400, 609.2800, 810.4100, 1123.5000
Comment_of_details

Data Analysis Information

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_25


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The annotation data and quantitative data of the metabolite peaks in this sample are available at KomicMarket.

Data Analysis Details Information

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
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