SE43:/S03/M03/D01

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Sample Set Information

ID SE43
Title Comaparaive metabolite analysis of three Allium species
Description Investigation of Allium species leaf metabolites. 3 species, 4 replicates data are examined.
Authors Takeshi Ara 1,2, Kunihiro Suda 1, Masayuki Amagai 3,4,5, Kiyoshi Namai 3,6, Hideyuki Suzuki 1,7, Nozomu Sakurai 1,8, Daisuke Shibata 1,4, 1:Kazusa DNA Research Institute, 2:Research Institute for Sustainable Humanosphere, Kyoto University, 3:Tochigi Agricultural Experimentation Station, 4:Department of Biological Sciences, Kisarazu Campus of Tohoku University, 5:Ansoku Agriculture Promotion Office, 6:Tochigi Agricultural College, 7:Hirata Corporation, 8:Department of Informatics, National Institute of Genetics.
Reference Ara T. et al. (2020) Plant Biotechnology 37(3), 383-387.
Comment


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Sample Information

ID S03
Title Allium fistulosum L. Nissatonegi
Organism - Scientific Name Allium fistulosum
Organism - ID NCBI taxonomy:35875
Compound - ID
Compound - Source
Preparation Mature leaves were harvested (four biological replicates per cultivar), immediately frozen in liquid nitrogen, and then kept at −80 degree C.
Sample Preparation Details ID
Comment

Analytical Method Information

ID M03
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS1
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_32617


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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 97% (0.0 to 45.0 min), 97% (45.0 to 50.0 min), 97% to 3% (50 to 50.1 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=224.0100, 235.1800, 241.0700, 266.2300, 282.1000, 315.0900, 376.0400, 378.0400, 389.1100, 463.1300, 480.1600, 534.0500, 537.1500, 540.6000, 554.1800, 609.2800, 628.2000, 702.2200, 726.3600, 810.4200, 1101.7000, 1118.7200, 1123.6800
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 annotation of peaks with MS/MS
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, peak shape is manually checked for peaks with intensity < 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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