SE39:/S04/M02/D01

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Sample Set Information

ID SE39
Title Comparison of flower metabolites among Cosmos bipinnatus varieties
Description Investigation of Cosmos bipinnatus Flower metabolites. 4 colors and 3 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

Sample Information

ID S04
Title Cosmos bipinnatus Flower (White color)
Organism - Scientific Name Cosmos bipinnatus
Organism - ID NCBI taxonomy:51277
Compound - ID
Compound - Source
Preparation Cosmos bipinnatus flowers are harvested at Kisarazu, Chiba, Japan.
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_19256


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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
Instrument Agilent1100 HPLC (Agilent), LTQ-FT (Thermo Fisher Scientific)
Instrument Type LC-FTICR-MS
Ionization ESI
Ion Mode Positive
Description 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-100Z (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). Reject Mass List:235.2000, 236.2000, 376.0000, 377.0000, 609.3000, 610.3000, 810.4000, 811.4000, 1123.7000, 1124.7000.
Comment_of_details

Data Analysis Information

ID D01
Title PowerGet data analysis
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
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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