Cerno unveils breakthroughs in accurate small molecule and unknown compound identification at ASMS 2025

New data reveals how Cerno’s universal mass spectrometry software delivers near-HRMS performance, transforming confidence in compound identification

2 Jun 2025

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At the American Society of Mass Spectrometry (ASMS) Annual Meeting, in Baltimore, USA, Cerno will present new data describing significant improvements in the accuracy of unknown compound and trace ion identification. The Cerno team will also demonstrate their MassWorks and GC/ID software and meet with conference attendees.

These new findings are particularly impactful because they eliminate the longstanding tradeoff between speed, accuracy, and accessibility in mass spectrometry. By delivering high mass accuracy and spectral fidelity on widely available instruments — including unit-resolution systems, Cerno’s software makes advanced unknown compound and trace ion identification practical without the need for specialized or high-cost equipment. This unlocks new capabilities for scientists across life sciences, environmental testing, consumer goods, and chemical and material sciences, enabling faster, more confident decision-making in areas ranging from drug development and diagnostics to environmental monitoring and quality control.

The data will be shared during two poster sessions:

Combining High and Low-Resolution Data for Confident Unknown Identification

Cerno, in collaboration with the University of Connecticut, presented a new workflow that pairs high-resolution mass accuracy with low-resolution spectral accuracy in a single LC/MS run. Using MassWorks®, the team achieved unique elemental composition identification in all 26 test compounds — something not possible with high-resolution alone.

By harnessing the strengths of both scan types, the approach reduces ambiguity and enables more definitive compound ID on standard mass spec systems, making high-confidence results more accessible and cost-effective.

Bringing High-Accuracy Trace Ion Analysis to Unit-Resolution IC-MS

In a joint study with Metrohm and Agilent, Cerno showed how its MassWorks® software dramatically improves quantification and trace ion identification on unit-resolution ion chromatography–mass spectrometry systems. Researchers achieved <0.006 Da mass accuracy and >98.5% spectral accuracy, enabling clear separation of overlapping signals — even amid complex interferences.

The result: more reliable detection of contaminants like perchlorate and enhanced precision in pharmaceutical and environmental testing, without requiring high-end instrumentation.

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Mass SpectrometryMass spectrometry (MS) is a powerful analytical technique used to identify and quantify molecules based on the mass-to-charge ratio of gas-phase ions. It provides detailed information about the structure, composition, and properties of compounds and is widely used across fields such as environmental monitoring, materials science, drug discovery and development, food and beverage testing, and wider chemical research. Key MS techniques include tandem mass spectrometry (MS/MS), liquid chromatography–mass spectrometry (LS-MS) and inductively coupled plasma (ICP-MS). Choosing from these wide range of techniques and technologies can be a daunting task, so keep up to date with scientific applications, performance expectations, and customer reviews here all in one place. Visit our product directory to receive quotes direct from the manufacturer. Small MoleculesCompound IdentificationASMSThe American Society for Mass Spectrometry (ASMS) is an organization dedicated to advancing the science and application of mass spectrometry. ASMS supports professionals through events, publications, and research initiatives, promoting innovation in areas like proteomics, metabolomics, and environmental analysis.
Cerno unveils breakthroughs in accurate small molecule and unknown compound identification at the 2025 American Society for Mass Spectrometry (ASMS) meeting