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Sample Set Information

Title Grifola frondosa metabolite analysis
Description Investigation of Grifola frondosa metabolites. 4 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 1

Sample Information

ID S01
Title Grifola frondosa
Organism - Scientific Name Grifola frondosa
Organism - ID NCBI taxonomy:5627
Compound - ID
Compound - Source
Preparation The Maitake mushroom samples are purchased at the local market.
Sample Preparation Details ID
Comment [KomicMarket ID] KSBA_29

Analytical Method Information

ID M02
Title LC-FTICR-MS, ESI Positive analysis
Method Details ID MS2
Sample Amount 6.7mg
Comment [MassBase ID] MDLC1_10287

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

Analytical Method Details Information

Title LC-FT-ICR-MS ESI positive method 2
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 30% (0.0 to 25.0 min), 30 to 90% (25.1 to 40.0 min), 95% (45.1 to 50.0 min), 3% (50.1 to 57.0 min), Column temp.: 30 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(50.0-2000.0); 2: ITMS + c norm !corona !pi Dep MS/MS Most intense ion from (1); 3: ITMS + c norm Dep MS/MS 2nd most intense ion from (1); 4: ITMS + c norm Dep MS/MS 3rd most intense ion from (1); 5: ITMS + c norm Dep MS/MS 4th most intense ion from (1); 6: ITMS + c norm Dep MS/MS 5th most intense ion from (1), Reject Mass List:224.1900, 249.2100, 266.2300, 294.2600, 554.1800, 756.5500, 782.5700, 783.5700, 804.5500 , 950.8100.

Data Analysis Information

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

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The mass spectrum data are available at Bio-MassBank.

Data Analysis Details Information

Title PowerGet analysis for annotation of peaks with MS/MS (A3)
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. Assigned peaks with clear MS2 data are selected for the registration of Bio-MassBank.
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