SE5:/S01/M01/D02
From Metabolonote
Sample Set Information
| ID | SE5 |
|---|---|
| Title | Physcomitrella patens metabolite analysis |
| Description | Investigation of Physcomitrella patens subsp. patens metabolites. 4 replicates data are examined for each sample. |
| Authors | Norimoto Shimada, Takeshi Ara, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Daiskue Shibata, Kazusa DNA Research Institute |
| Reference | Direct Submittion |
| Comment | version 4 |
Photo: Physcomitrella patens subsp. patens (same clone of harvested sample　(S01))(Aug 2013).
Sample Information
| ID | S01 |
|---|---|
| Title | Physcomitrella patens subsp. patens |
| Organism - Scientific Name | Physcomitrella patens subsp. patens |
| Organism - ID | NCBI taxonomy:3218 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Physcomitrella patens subsp. patens are grown on plant culture box filled by 1/2MS culture with 0.5% phytogel in an incubator with 18h Light/6h Dark and 24.6 degree C condition. Whole plants are harvested. |
| Sample Preparation Details ID | |
| Comment | [KomicMarket ID] KSBA_26 |
Analytical Method Information
| ID | M01 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS1 |
| Sample Amount | 6.7mg |
| Comment | [MassBase ID] MDLC1_25860 |
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 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% (0.0 to 1.0 min), 3 to 30% (1.0 to 26.0 min), 50 to 90% (26.0 to 41.0 min), 90% to 100% (41.1 to 46.0 min), 100% (46.1 to 51.0 min), 3% (51.1 to 58.0 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(150.0-2000.0); 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). |
| Comment_of_details |
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 (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 |
