SE14:/S03/M02/D01
From Metabolonote
Sample Set Information
| ID | SE14 |
|---|---|
| Title | Effect of agricultural films for tomato fruit metabolites |
| Description | Investigation of Solanum lycopersicum fruit metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultural film), 2 years and 3 replicates data are examined. The data files of SE3_S01 are reused as SE14_S03 for this analysis. |
| Authors | Takeshi Ara 1, Naoki Yamamoto 1, Yoshihiko Morishita 1, Kunihiro Suda 1, Mitsuo Enomoto 1, Nozomu Sakurai 1, Hideyuki Suzuki 1, Tatsuya Suzuki 2, Daisuke Shibata 1, 1: Kazusa DNA Research Institute, 2: Chiba Prefectural Agriculture Research Center |
| Reference | Direct Submittion |
| Comment | version 2 |
Sample Information
| ID | S03 |
|---|---|
| Title | Solanum lycopersicum Lovely ai Fruit |
| Organism - Scientific Name | Solanum lycopersicum |
| Organism - ID | NCBI taxonomy:4081 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Solanum lycopersicum are grown at agricultural field in natural conditions under normal film. Samples are harvested at October 2010. |
| Sample Preparation Details ID | |
| Comment | This sample is same as SE3_S01. [KomicMarket ID] KSBA_8. |
Analytical Method Information
| ID | M02 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS1 |
| Sample Amount | 6.7mg |
| Comment | [MassBase ID] MDLC1_25528 |
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 50% (0.0 to 20.0 min), 50 to 90% (20.0 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.: 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=294.2600, 376.0400, 609.2800, 810.4200, 1123.6800. |
| Comment_of_details |
The data can be compared with the data obtained by the method SE3_MS1
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 |
