SE4:/S01/M03/D01
From Metabolonote
Sample Set Information
| ID | SE4 |
|---|---|
| Title | Dicksonia antarctica leaf metabolite analysis |
| Description | Investigation of Dicksonia antarctica Leaf metabolites. 5 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 5 |
Sample Information
| ID | S01 |
|---|---|
| Title | Dicksonia antarctica Leaf |
| Organism - Scientific Name | Dicksonia antarctica |
| Organism - ID | NCBI taxonomy:3271 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Dicksonia antarctica leaves are harvested at Nambo Paradise Botanical Garden, Tateyama, Chiba, Japan. |
| Sample Preparation Details ID | |
| Comment | [KomicMarket ID] KSBA_25 |
Analytical Method Information
| ID | M03 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS3 |
| Sample Amount | 6.7mg |
| Comment | [MassBase ID] MDLC1_12321 |
The raw (binary) and near-raw (text) files of this analysis are available at MassBase.
Analytical Method Details Information
| ID | MS3 |
|---|---|
| Title | LC-FT-ICR-MS ESI positive method 3 |
| 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. The solution is dried up and is subjected to acid hydrolysis by 1.8% butanol/HCl, 95 degree C, 1hr. Butanol fraction is dried up and 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 20.0 min), 50 to 90% (20.0 to 35.0 min), 90% (35.0 to 45.0 min), 95% (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)., Rejected mass=235.1800, 376.0400, 609.2800, 810.4100, 1123.5000 |
| Comment_of_details |
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 |
| Comment |
Data Analysis Details Information
| ID | DS1 |
|---|---|
| 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. |
| Comment_of_details |
