SE35:/S01/M02/D01

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Sample Set Information

ID SE35
Title Hevea brasiliensis leaf metabolite analysis
Description Investigation of Hevea brasiliensis leaf metabolites. 3 replicates data are examined for each sample.
Authors Yukiko Nakamura, Takeshi Ara, Takashi Matsuura, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Daisuke Shibata, Kazusa DNA Research Institute
Reference Direct Submittion
Comment version 1

Sample Information

ID S01
Title Hevea brasiliensis leaf
Organism - Scientific Name Hevea brasiliensis
Organism - ID NCBI taxonomy:3981
Compound - ID
Compound - Source
Preparation Hevea brasiliensis plants are grown on pots filled by soil at room temperature with natural light condition. Leaves are harvested at spring of 2008.
Sample Preparation Details ID
Comment

Analytical Method Information

ID M02
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS1
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_12987


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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 30% (0.0 to 25.0 min), 30 to 90% (25.1 to 40.0 min), 90% (40.1 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(200.0-1500.0); 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), Rejected mass=224.1900, 225.1930, 235.1700, 236.1830, 266.2300, 267.2330, 294.2600, 295.2630, 378.0400, 380.0300, 609.4000, 610.2900, 810.4200, 811.4100, 1123.6700, 1124.6830, 1125.6800.
Comment_of_details

Data Analysis Information

ID D01
Title PowerGet data analysis for KomicMarket2
Data Analysis Details ID DS1
Recommended decimal places of m/z 6|ITMS 2
Comment


Data Analysis Details Information

ID DS1
Title PowerGet analysis for detection of all peaks (B3)
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.
Comment_of_details
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