KnowItAll Solutions for LC-MS
Take your LC-MS analysis from hours to minutes!
Streamline component identification with the power of KnowItAll LC Expert’s automated workflow – New in KnowItAll 2025!
LC-MS data analysis can be time consuming and tedious. The new LC Expert rises to the challenge with an automatic workflow that processes, deconvolutes, and searches raw LC-MS chromatograms. LC Expert features both MS/MS and accurate mass search methods for the most complete analysis. Combined with the power of KnowItAll’s comprehensive, high-quality database collections*, LC Expert takes non-targeted and targeted spectral analysis to the next level.
Automate unknown identification
Automatically process and identify chromatogram components with a single click.
Leverage the power of high-quality KnowItAll database collections*
Identify faster and with confidence by searching unknowns against Wiley’s comprehensive, trusted spectral libraries.
Incorporate in-house compounds into your searches
Build structure libraries to track and monitor known targets or to distinguish them from your unknown components across different chromatographic methods.
Key features
 | Comprehensive, integrated tools for efficient analysis. By combining all the tools and data you need into a single, easy-to-use interface, KnowItAll will save you time, improve workflow, and increase your ability to reach conclusions from your data. |
 | Vendor neutral for seamless integration. Supports multiple file & instrument formats, so even if you change or add instruments, your workflow remains intact. |
 | VPAT compliant. With accessibility features like keyboard access to menus, audio narration for icons, and tool tips. |
 | Multi-language interface. Software is currently available in English, Chinese, French, German, and Japanese. |
*Subscription required to KnowItAll Spectral Libraries.
Automatic non-targeted LC-MS/MS analysis
Automatic non-targeted identifications using tandem MS data
LC Expert streamlines analysis by automatically deconvoluting raw LC-MS chromatograms and identifying the components.
How does it work?
Simply open the LC-MS chromatogram in LC Expert to deconvolute it into extracted ion chromatograms (EICs). The correlated MS/MS spectra are then automatically matched against Wiley’s LC-MS databases* to identify them.
Highlights:
- Automatic deconvolution with a single click
- Tabulation of valuable peak information after deconvolution
- Customize search settings to user’s instrument and workflow
- Create analysis profiles for repetitive workflows
Targeted accurate mass identification
Search by accurate mass to track and monitor known targets or to distinguish them from your unknown components
Build structure databases for known targets, such as comprehensive laboratory compound lists or by method. You can also add optional metadata to the structure library, including retention time for the chromatographic method.
How does it work?
LC Expert searches the raw chromatogram for compounds within the structure databases using accurate mass calculation including isotopic precision. The accurate mass results can be cross-referenced to the MS/MS spectral library search matches for dual confirmation.
Access to different MS/MS spectral search algorithms
In addition to the automatic MS/MS searching in LC Expert, users of KnowItAll LC-MS tools will have access to more search algorithms in KnowItAll’s SearchIt application. This includes the renowned MSforID search algorithm and patent-pending adaptive search.
The MSforID search algorithm compares the query spectrum to the series of spectra in a compound database record, leveraging the accuracy of spectral records that have multiple collision energy measurements.
New in KnowItAll 2025 for LC-MS: Patent-Pending Adaptive Search is available for both low-resolution and high-resolution instruments.
How does it work? When matching an unknown mass spectrum against a reference database, this technology finds spectral matches that are similar to the unknown but have additional or missing selective fragment(s). It then suggests what might be causing the differences, where possible. This feature provides tremendous insight into structural possibilities to explore when there is no exact match. Ultimately, this may lead to more intelligent and confident identification and confirmation.
High-quality LC-MS/MS database collections
Leverage the power of the KnowItAll LC-MS databases
Spectral analysis software is not complete without high-quality databases of reference spectra. As a leader in spectral data, Wiley offers the best of both!
Identify faster by searching your unknowns against the comprehensive, quality KnowItAll LC-MS Library collection with access to millions of spectra, including:
- Wiley Registry of Tandem MS Data
- LC-MS Rule-Based Libraries for PFAS, Polymers, and Lipids
- In addition, several third-party collections can be bundled, including NIST LC-MS/MS and the Maurer LC-MSn and LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolite databases
Database building & data management
Incorporate in-house spectra into your identification workflow
KnowItAll’s MineIt has novel tools for building databases with analytical data including MS/MS spectra. Databases support multi-techniques, and a variety of properties can be included with the compound record (e.g., Collision Cross-Section (CCS), Instrument Name, Collision Energy, etc.). KnowItAll stores raw data in its original format, so the original file is always easily accessible from the database. It also allows you to import existing in-house database collections (e.g., MSP format) for MS/MS searching.
Integrated tools for structure drawing, reporting, & more
ChemWindow 2D structure drawing & reporting tools
Because structures are critical to your work, we’ve integrated ChemWindow, a trusted software used by chemists worldwide, into KnowItAll to streamline your workflow. This integration allows you to draw and use structures directly within KnowItAll, eliminating the need to switch between programs.
And with KnowItAll’s integrated ReportIt tool, you can effortlessly generate reports, papers, and presentations to showcase your spectral identification results, complete with spectra, structures, annotations, data tables, and more.
And many more value-added MS tools!
ChemWindow
Isotopic Distribution Tool
Elemental Composition
Applications
This versatile solution is useful for accelerating workflows across a range of applications, such as:
- Pharmaceuticals
- Drug Design & metabolomics
- Extractables & leachables
- Environmental monitoring
- Forensics
- Food & beverage
- Cosmetics
- Biotechnology
- Materials science
- Academic research & teaching
- Many more
Compatibility
KnowItAll’s vendor-neutral environment supports multiple instrument formats across a range of techniques, allowing for easy integration. This flexibility helps your workflow remain intact as you add or change instruments, ensuring seamless operation and continuous efficiency.
KnowItAll and ChemWindow are trademarks of John Wiley & Sons, Inc. in certain jurisdictions.
*Subscription required to KnowItAll Spectral Libraries.
 | Discover how KnowItAll can revolutionize your LC-MS analysis |