SE3:/S03/M01/D01
From Metabolonote
Sample Set Information
| ID | SE3 |
|---|---|
| Title | Comparison of fruit metabolites among tomato varieties 1 |
| Description | Investigation of Solanum lycopersicum fruit metabolites. 3 caltivars and an original species, 3 replicates data are examined. |
| Authors | Naoki Yamamoto 1, Takeshi Ara 1, Tatsuya Suzuki 2, Taneaki Tsugane 2, Sayaka Shinpo 1, Yoshihiko Morishita 1, Ryosuke Sasaki 1, Mitsuo Enomoto 1, Nozomu Sakurai 1, Hideyuki Suzuki 1, Daisuke Shibata 1, 1: Kazusa DNA Research Institute, 2: Chiba Prefectural Agriculture Research Center |
| Reference | Yamamoto N et al. (2012) Plant Biotechnology 29: 109-113 |
| Comment | version 5 |
Sample Information
| ID | S03 |
|---|---|
| Title | Solanum lycopersicum Furikoma fruit |
| Organism - Scientific Name | Solanum lycopersicum |
| Organism - ID | NCBI taxonomy:4081 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Solanum lycopersicum Furikoma are grown at agricultural field under normal film in natural conditions. |
| Sample Preparation Details ID | |
| Comment | [KomicMarket ID] KSBA_10 |
Analytical Method Information
| ID | M01 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS1 |
| Sample Amount | 6.7mg |
| Comment | [MassBase ID] MDLC1_25532 |
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 SE14_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 (A2) |
| 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. Assigned peaks with clear MS2 data are selected for the registration of Bio-MassBank. |
| Comment_of_details |
