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Small Molecule MS

Today, most drugs produced by the pharmaceutical industry are manufactured small molecules.  The discovery and development process can be quite labor-intensive, time consuming and expensive.  By partnering with Novatia, you can save time and money in the development and production quality control of your active pharmaceutical ingredient (API).  Our expert team has nearly 40 years of mass spectrometry experience.  We offer rapid turnaround of high quality results to meet the specific needs of your project, at competitive prices.

Small Molecule LC/MS Analysis Services

Features and benefits of small molecule servicesApplications of small molecule services
Excellent mass accuracy, typically 3 ppmNominal and high resolution MW confirmation of target small molecule
Flow injection for cost-effective rapid analysis of high purity samplesStructural elucidation of target small molecule
LC/MS and/or LC/MS/MS analyses using templated or custom methods and columnsProduction Impurity isolation, identification and structural elucidation
Backed by over 38 years experience in biological mass spectrometry

Nominal mass MS analysis (MW_confirmation)

Nominal mass MS analysis is a rapid flow injection method frequently used to confirm the mass of a small molecule, when high resolution and chromatographic separation are not required. Novatia reports the nominal mass of the most abundant peak(s) detected in a formatted PDF report. Below is a sample report of nominal mass MS analysis service results for buspirone.

High resolution mass spectrometry analysis (HRMS)

HRMS analysis provides the resolution required to confirm the chemical formula of your small molecule by measuring the monoisotopic mass. The monoisotopic mass is the isotope pure species of the small molecule consisting of the lightest isotopes of each element within the chemical formula. The high resolution of our instrument and method result in low mass error, within 3 ppm of the theoretical mass. Below is a sample report of HRMS analysis service results for buspirone, using the chemical formula of buspirone to determine the theoretical monoisotopic mass. An extracted ion chromatogram (XIC) trace of buspirone is included with the TIC. The expanded HRMS spectrum demonstrates the high resolution of the method.

Below is the component confirmation page of the report which confirms the molecular formula and identifies the observed ions used for the confirmation.

HRMS/MS structure confirmation (HRMS_structure)

HRMS alone is useful for the confirmation of chemical formula and the high confidence identification of chemical formulas that match the monoisotopic mass and isotope pattern of your small molecule. However, a list of possible chemical formulas or confirmation of the desired chemical formula may not be the answer your team requires. When you need to take analysis to the next level, Novatia offers HRMS/MS structural confirmation. By fragmenting your small molecule, Novatia combines the high mass accuracy of the intact and fragments of your small molecule to confirm the elemental connectivity of your small molecule. Below is a sample report of HRMS/MS structure confirmation service results for buspirone. An extracted ion chromatogram (XIC) trace of buspirone is included with the TIC. The expanded HRMS spectrum demonstrates the high resolution of the method.

The HRMS/MS spectrum below are the fragment ions detected following the fragmentation of buspirone.

The table of identified structure fragments illustrates how the elements of buspirone connect and the difference between the expected m/z of the proposed fragment and the observed m/z. Lastly, the AQI (adjusted quality index) is an evaluation fragment identification confidence.