SE16:/S09/M01/D02
From Metabolonote
Sample Set Information
| ID | SE16 |
|---|---|
| Title | Effect of agricultural films for spinach leaf metabolites 2 |
| Description | Investigation of Spinacia oleracea leaf metabolites. 3 growth conditions (covered with normal or UV cut agricultural film or no agricultural film), 4 cultivers (Kanaji, Kurohaminstarland, Nihon and ,Wasesaradaakari) and 3 replicates data are examined. |
| Authors | Takeshi Ara 1, Naoki Yamamoto 1, Yoshiki Nagashima 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 1 |
Sample Information
| ID | S09 |
|---|---|
| Title | Spinacia oleracea Kurohaminstarland Leaf |
| Organism - Scientific Name | Spinacia oleracea |
| Organism - ID | NCBI taxonomy:3562 |
| Compound - ID | |
| Compound - Source | |
| Preparation | Spinacia oleracea are grown at agricultural field in natural conditions under normal film. |
| Sample Preparation Details ID | |
| Comment | [KomicMarket ID] KSBA_61 |
Analytical Method Information
| ID | M01 |
|---|---|
| Title | LC-FTICR-MS, ESI Positive analysis |
| Method Details ID | MS1 |
| Sample Amount | 6.7mg |
| Comment | [MassBase ID] MDLC1_35972 |
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 97% (0.0 to 45.0 min), 97% (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, 378.0400, 540.6000, 609.2800, 726.3600, 810.4200, 818.4200, 1118.7200, 1123.6800. |
| Comment_of_details |
The data can be compared with the data obtained by the method SE12_MS1
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 |
