SE1:/S01/M02/D02
From Metabolonote
Sample Set Information
| ID | SE1 |
|---|---|
| Title | Arabidopsis thaliana leaf metabolite analysis |
| Description | Investigation of Arabidopsis thaliana leaf metabolites. 6 replicates (for extraction) data are examined for each sample. |
| Authors | Takeshi Ara, Ryosuke Sasaki, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Daisuke Shibata, Kazusa DNA Research Institute |
| Reference | Direct Submittion |
| Comment | version 7 |
Sample Information
| ID | S01 |
|---|---|
| Title | Arabidopsis wt leaf |
| Organism - Scientific Name | Arabidopsis thaliana |
| Organism - ID | NCBI taxonomy:3702 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Arabidopsis thaliana Col-0 seeds are sown on pots filled by vemiculite and are grown in an incubator with 18h Light/6h Dark and 22 degree C condition. After 2 months later, all leaves are harvested. |
| Sample Preparation Details ID | |
| Comment | [KomicMarket ID] KSBA_11 |
Analytical Method Information
| ID | M02 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS1 |
| Sample Amount | 6.7 mg |
| Comment | [MassBase ID] MDLC1_05712 |
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% (25.0 to 40.0 min), 90% (40.0 to 45.0 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(200.0-1500.0); 2: ITMS + c norm !corona !pi Dep MS/MS Most intense ion from (1)., Rejected mass=256.2000;266.0000;284.2000;300.2000;328.2000;344.2000;372.2000;388.2000;416.3000;432.3000;460.0000. |
| Comment_of_details | [column] TSKgel-100V (4.6 x 250 mm, 5 micrometer; TOSOH)
[gradient] 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% (25.0 to 40.0 min), 90% (40.0 to 45.0 min), 95% (45.1 to 50.0 min), 3% (50.1 to 57.0 min) [total separation time] 60 min |
Data Analysis Information
| ID | D02 |
|---|---|
| Title | PowerGet data analysis for KomicMarket2 |
| Data Analysis Details ID | DS2 |
| Recommended decimal places of m/z | 6|ITMS 2 |
| Comment |
The peak data files written in TogoMD format are downloadable at the KomicMarket2 temporary web site.
Data Analysis Details Information
| ID | DS2 |
|---|---|
| Title | PowerGet analysis for detection of all peaks (B2) |
| 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 |
