The compound data of KNApSAcK database was updated on MFSearcher which is a web service for rapid database seraching and formula prediction by mass values. Notice that the format of the KNApSAcK ID returned as search results was changed as follows.
Before: [Formula]_[KNApSAcK ID] or [Formula]-[KNApSAcK ID]
After: KNApSAcK ID
The latest version of PowerGet which is the peak analysis software for LC-high resolution MS is now available. The searching function against the Human Metabolome Database (HMDB) and the possible formula database ExactMassDB-HR2 were added on the MFSearcher GUI module. We greatly appreciate your help to let us know any bugs and requests (komics-admin AT kazusa.or.jp, replace "AT" to "@").
SpiceHit, a tool for high-throughput analyses of the data obtained by CE-MS with single ion monitoring (SIM) method, was updated. In the peak identification, a function to suggest only the best peak corresponding to each standard compound was implemented, where all the candidate peaks have been enumerated so far.
MFSearcher was updated. A search function for the 15062 metabolites published at the Human Metabolome Database (HMDB, Version 3.0) was implementes.
MFSearcher is a web service for rapid prediction of elemental compositions and rapid search for compound databases by mass values detected in metabolomics studies.
An increased number of metabolome data have been deposited to KomicMarket which is the database for annotations of known and unknown metabolite peaks detected from the samples. In total 208 analysed data for 74 samples from 17 organisms are published after the update on April 17th.
The latest version of PowerGet (3.4.0), which is the data analysis tool for liquid chromatography-high resolution mass spectrometry, is released.
- The ExportManager function for exporting information of selected peaks in the TOGO Metabolome Data Format in batch manner is newly implemented in the PowerMatch module.
Some data analysis tools have been distributed under Creative Commons licenses. As the CC is not recommended to apply to the software tools, we changed the licensing policy.
A large number of new data was added to MassBase which is the biggest repository of metabolomics "raw" data in the world. The analysis data listed below were added.
In total, 43,658 analysis data including 39,132,823 peaks are released from MassBase now.