SE131:/S2/M1
From Metabolonote
Sample Set Information
| ID | TSE16 |
|---|---|
| Title | Integrated LC-MS/MS system for plant metabolomics |
| Description | Liquid chromatography-tandem mass spectrometry (LC-MS/MS) is highly sensitive, selective, and enables extensive detection of metabolites within a sample. The result allows us to characterize comprehensive metabolite accumulation patterns without dependence on authentic standard compounds and isolation of the individual metabolites. A reference database search is essential for the structural assignment process of un-targeted MS and MS/MS data. Moreover, the characterization of unknown metabolites is challenging, since these cannot be assigned a candidate structure by using a reference database. In this case study, integrated LC-MS/MS based plant metabolomics allows us to detect several hundred metabolites in a sample; and integrated omics analyses, e.g., large-scale reverse genetics, linkage mapping, and association mapping, provides a powerful tool for candidate structure selection or rejection. We also examine emerging technology and applications for LC-MS/MS-based un-targeted plant metabolomics. These activities promote the characterization of massive extended detectable metabolites. |
| Authors | Yuji Sawada, Masami Yokota Hirai |
| Reference | Sawada and Hirai (2013) Computational and Structural Biotechnology Journal 23;4:e201301011. doi: 10.5936/csbj.201301011. eCollection 2013 |
| Comment |
The raw data files are available at DROP Met web site in PRIMe database of RIKEN.
Sample Information
| ID | S2 |
|---|---|
| Title | Glycine soja (wild soybean) |
| Organism - Scientific Name | Glycine soja |
| Organism - ID | NCBI taxonomy 3848 |
| Compound - ID | |
| Compound - Source | |
| Preparation | The RILs of G. max and G. soja were constructed by Hokkaido University. The RILs were distributed by the National BioResource Project (Legume Base). |
| Sample Preparation Details ID | |
| Comment | RIL, recombinant inbred line |
Analytical Method Information
| ID | M1 |
|---|---|
| Title | LC-ESI-QqQ-MS |
| Method Details ID | MS1 |
| Sample Amount | |
| Comment |
The raw data files are available at DROP Met web site in PRIMe database of RIKEN.
Analytical Method Details Information
| ID | MS1 |
|---|---|
| Title | LC-ESI-QqQ-MS |
| Instrument | HPLC: Waters Acquity UPLC system; MS: Waters Q-TOF Premier |
| Instrument Type | UPLC-QTOF-MS |
| Ionization | ESI |
| Ion Mode | Positive and Negative |
| Description | The UPLC (Waters) conditions were manually optimized based on the separation patterns of 12 methionine-derived glucosinolates and were as follows: fl ow rate 0.24 ml min –1 ; solvents A, 0.1% formic acid in water and B, 0.1% formic acid in acetonitrile; gradient program of B (0 min, 0%; 0.25 min, 0%; 0.4 min, 9%; 0.8 min, 17%; 1.9 min, 100%; 2.1 min, 100%; 2.11 min, 0%); 3 min cycles with a temperature of 38°C.The TQMS detection conditions were the same as those for FIA-TQMS, except that the source temperature was 130°C. |
| Comment_of_details | Sawada et al. Plant Cell Physiol. 2009 Jan;50(1):37-47 |
