PowerGet is a suite of data analytical tools developed for liquid chromatography (LC) – high-resolution mass spectrometers (MS).
The developing version of the tool has been called as "PowerSuite", and is renamed to "PowerGet" for public release.
Although the software is initially optimized to the Fourier transformation ion cyclotron resonance (FT-ICR) MS (LTQ-FT, ThermoFisher) and Ortibrap type MS (LTQ-Orbitrap, ThermoFisher), it is also applicable to other apparatus such as UPLC-Q-TOF-MS (Waters) by preparing the input files in proper format and adjusting the peak picking parameters for them. The raw data files of practical studies, which can be analyzed with PowerGet, are available at MassBase (http://webs2.kazusa.or.jp/massbase/) which is one of the biggest repositories of metabolomics data.
PowerGet is constructed with two modules, PowerFT and PowerMatch.
The module detects and characterizes all the metabolite peaks in individual LC-MS data. It provides the following functions.
The module loads multiple PowerFT results, and performs "alignment" of the metabolite peaks. The peak alignment is a process that makes correspondence of peaks that are expected to be the same metabolites between the multiple samples. This process is essential for the following comparison of the metabolomes between the samples. The alignment data is also useful to evaluate the reproducibility of the peak detections in replication samples, to evaluate the confidence of the prediction of ionization states, and to improve the accuracy of mass values. These results make the researcher easier to annotate the metabolites.
The unique functions of the alignment of PowerMatch are follows.
PowerGet 3.5.8 (4.66 MB)
Sample data (344 MB)
The sample data includes triplicate analysis of Cosmos flowers, leaves, and mock samples obtained by LC-Orbitrap-MS. The dataset can be opened using PowerMatch module of PowerGet.
* Click once and wait for a while. Due to the security checking system of the server, it may take ~90 seconds to start downloading.
PowerGet has been tested under following environment. Java Runtime Environment (1.6 or later) is required.
OS: Windows XP / Vista / 7 (32 bit, 64 bit)
Software: Java Runtime Environment (JRE 1.6.0_26)
Use the published paper or the permalink shown below to cite PowerGet.
Sakurai N, Ara T, Enomoto M, Motegi T, Morishita Y, Kurabayashi A, Iijima Y, Ogata Y, Nakajima D, Suzuki H, and Shibata D (2014) Tools and Databases of the KOMICS web portal for preprocessing, mining, and dissemination of metabolomics data. BioMed Research International, 2014: 194812
* Use the following permanent URL. Don't use the URL in the address bar of your browser. It may be changed.
Nozomu Sakurai, e-mail: sakurai AT kazusa.or.jp
This software is academic free, and is not allowed to use for commercial purpose.