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Confident identification for small molecules
Mass spectral libraries are important to help in the critical step of identifying unknown compounds. This is particularly true for studies in areas such as metabolomics, forensic toxicology, PFAS, food & beverage, emerging contaminants or extractables & leachables.
In these situations, a mass spectral library, particularly one containing high quality, curated, high-resolution and accurate-mass MSⁿ fragmentation is key. The mzCloud mass spectral library is the right tool for this complex job. It helps provide the information required to confidently identify more unknowns with extensive fragmentation data on a wide range of chemical standards with search capabilities integrated into Thermo Scientific data processing software solutions.
Key benefits
Confidently know more unknowns: Extensively curated fragmentation spectral data on a large number of chemical standards from across a wide range of applications increases the chances of correct annotation, even in complex samples.
More data for better identifications
Wide range of collision energies (up to 20 individual values) and extensive MSⁿ fragmentation data in both HCD and CID enables you to acquire data as you want, and mzCloud can still help provide results while avoiding potential false positives possible with acquisition parameter mismatches.
Flexibility for searching
Search free online at mzCloud.org or access the library directly through Thermo Scientific Compound Discoverer Software and Thermo Scientific Mass Frontier Software. Offline searching is supported by local spectral libraries for use with Compound Discoverer and Thermo Scientific TraceFinder Software.
Learn more about the mzCloud mass spectral library
Building an extensive and high-quality library
When building an exceptional mass spectral fragmentation library, consideration is given not only to the compounds to be included, but also to the representative data to be acquired and how to prepare the data. mzCloud mass spectral library includes data on chemical standards from all different applications to improve the chance of finding relevant highs and avoiding the pitfall of false positives that might come from only searching a narrow chemical space. In addition, extensive data acquisition and curation helps ensure that mzCloud mass spectral library will have relevant information while also enabling you to explore possible optimal acquisition conditions for compounds in the library.
Acquisition of extensive fragmentation data helps ensure that you can acquire data without limits to your acquisition parameters and the mzCloud mass spectral library will be able to support your searches. Wide ranges of both HCD and CID fragmentation spectral data are acquired at every MSⁿ level (up to 20 individual energies)
Acquiring the data is one important step, but preparing and processing it is equally important. Data within mzCloud mass spectral library undergoes curation to compare and average replicate acquisitions, remove noise, recalibrate every resulting spectra, and annotate fragment ions with fragmentation structures. All of this improves the quality of spectral library matches and provides important substructure information to partial matches.
Integrated mzCloud spectral library searching
An excellent fragmentation mass spectral library works best fully integrated into the data processing workflow. The mzCloud mass spectral library is connected to both Compound Discoverer Software and Mass Frontier software. Searching is integrated and batch-based to enable searching large numbers of unknowns and visualizing potential library matches in the application.
Integration of mzCloud mass spectral library into Compound Discoverer software allows for library searching and annotation to be easily included into processing workflows. Annotations can be provided for both identification and for similarity and support searching query MSⁿ data. In addition, automatic support for searching and matching stepped and multi-energy query data is included.
Integration of mzCloud mass spectral library into Mass Frontier software creates a platform for deeper scrutiny of unknowns with the ability to submit portions of MSⁿ data on unknowns to begin to identify specific substructures and enable the ability to perform de novo structure identification.
Additional capabilities
Explore some of the additional capabilities that the mzCloud mass spectral library can provide.
The mzCloud mass spectral library can also be used online at mzCloud.org. Search using query spectra from any platform. In addition, search for lists of compounds or for compounds containing a specific chemical substructure.
For many, searching a web-based spectral library resource may not be an option. For these users, the mzCloud spectral library is available in an offline format suitable for use with both Compound Discoverer software and TraceFinder software. The mzCloud offline library options include application specific subsets to focus on compounds of interest.
Featured resources
Discover the difference that high-resolution mass spectral libraries can make when addressing the challenges of small-molecule unknown characterization and how powerful data analysis tools can make the most of these libraries by allowing you to find answers quickly and confidently to drive your decision-making process.
Our general purpose product lines are not intended for in vitro diagnostic purposes in accordance with our product documentation, manuals, and labels. They are designated for General Laboratory Use Only.
Our general purpose product lines have not been tested or validated for such applications and their use for in vitro diagnostic purposes may result in health and safety risks.
For General Lab Use Only - Not For Diagnostic Procedures.