July 30, 2020 | News & Notices Utilizing Artificial Intelligence, New Peakintelligence Software for LC-MS/MS Quickly and Reliably Detects Chromatographic Peaks

Shimadzu announces the release of Peakintelligence Ver. 2 (hereinafter Ver. 2) software for triple quadrupole liquid chromatograph mass spectrometers (LC-MS/MS).

Equipped with algorithms developed using artificial intelligence (AI), this software automatically detects peaks*1 appearing in chromatograms. By reliably detecting peaks without adjusting parameters, this product substantially reduces the need to visually confirm and correct data. In addition, Ver. 2 promotes working practice reforms at research sites and allows users to allot additional time and attention to more creative endeavors.

Ver. 2 is compatible with three Method Packages: Primary Metabolites, Cell Culture Profiling, and Residual Pesticides*2. With a revised algorithm, the processing speed in Ver. 2 is five times faster than in its previous iteration. This product was developed in collaboration with Fujitsu Limited. The Osaka University Shimadzu Omics Innovation Research Laboratories contributed to the creation of training data and product evaluation.

Peakintelligence Ver. 2 Software Window

Peakintelligence Ver. 2 Software Window


1. Relevant to More Users

In addition to LC-MS/MS Method Packages for Primary Metabolites and Cell Culture Profiling, Ver. 2 is compatible with the “Method Package for Residual Pesticides”. Since LC-MS/MS analysis is the mainstream technique for analysis of residual pesticides, this expands the range of relevant users.

2. Five Times Faster Processing Speed

Due to changes to the algorithm, the data processing speed in Ver. 2 is five times faster than in the previous version. For example, it can process approximately 600 chromatograms in 15 seconds, a task that previously required 75 seconds. The standby time whenever the software is used has been reduced. If Peakintelligence Ver. 2 is used for automatic peak detection and visual correction, the process is completed in 10 minutes, compared to about 30 minutes for existing software (assuming the analysis of five samples with 100 compounds per sample). The time needed for peak picking has been reduced to 1/3.

3. Accuracy on Par with Experienced Users

With Peakintelligence Ver. 2, the concordance rate with data analysis by experienced users is at least 90 % regardless of which method package is used. The algorithm developed using AI will accelerate working practice reforms at research sites.


  • *1 Peaks
    These are peak-shaped areas in the chromatogram (graph of measurement results) obtained by an analytical instrument. Their height and area indicate the amount of a compound present.
  • *2 Method packages
    These contain information, such as analysis conditions and pretreatment procedures, optimized for application-specific analyses. These method packages are commercially available from Shimadzu. Peakintelligence Ver. 2 can be used in conjunction with three method packages.

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Peakintelligence ver.2