Identification of GC-MS chromatographic peaks

How to handle a common situation of the spectra not being present in a commercial database?

Intertek will be presenting on a key topic in Extractables and Leachables (E&L) testing at the PharmaED E&L Summit in April 2026.

One of the most critical parts of the chemical assessment is the proper identification of the observed chemical species present as chromatographic peaks in the chemical analysis related to medical devices and pharmaceutical products. It is a complex analytical chemistry task that requires multiple analytical techniques and expert interpretation. The identification results unfortunately often impacted by chemical interferences, the observed quantity of the analytes, and the experience and the skills of the chemist, in addition to the instrumentation being used for the testing. It is important to emphasize that false identification would lead to an improper toxicological risk assessment with both the nature and the quantity of the chemical species being impacted, and that, in turn, could pose unacceptable risk to patients.

The applicable standards for the E&L and biocompatibility testing are either lack of providing identification workflow (ISO 10993-18) or lack of providing helpful and detailed support for identification (USP <1663>), resulting in improper interpretation of the identification categories. This presentation will provide examples where library search failed to provide accurate or even reasonable identification, and knowledge base, and expertise of the chemist was paramount to interpret the data and assign the chemical structure.

Scientists at Intertek Pharmaceutical Services are constantly updating the mass spectral databases with high resolution accurate mass data, and structures related to degradation products that are not present in a commercial databases. Intertek invested a diverse set of high resolution accurate mass systems for both LC-MS and GC-MS, and the scientists are recognized subject matter experts for spectral identification. We also work closely with industry partners to extend the reach of this knowledge across the wider scientific community.

If you’re attending PharmaED E&L Summit 2026, we look forward to connecting. Visit our website at https://www.intertek.com/chemicals/extractables-leachables-summit-2026/ to schedule a call ahead of the event with one of our experts. 

Learn more about our E&L services: https://www.intertek.com/pharmaceutical/analysis/extractables-leachables/