Rapid Generation of Tandem Mass Spectrometry Reference Libraries Using Immediate Drop-on-Demand Liquid Handling Coupled to an Open Port Sampling Interface
Abstract
In metabolomics, tandem MS (MS 2 ) fragmentation libraries are important for the identification of unknown features, but generating these libraries takes many valuable hours of instrument and operator time. Here, an immediate droplet-on-demand/open port sampling interface was used to rapidly acquire tandem MS of standards arrayed in a 96-well plate format. A workflow was developed for automated, high-throughput control of MS 2 library generation. Pure standard mass spectral libraries were collected on Orbitrap and Q-TOF mass spectrometers for 192 compounds using 6 different collision energies with a throughput of 4 and 7.8 s/spectrum, respectively. Libraries were acquired using different solvent additives, precursor adducts, and ion polarities.
Fields of Study & Subjects
Mass Spectrometry Techniques and Applications
Metabolomics and Mass Spectrometry Studies
Advanced Proteomics Techniques and Applications
Publication details
- Journal / source
- Journal of the American Society for Mass Spectrometry
- Volume
- 37
- Issue
- 3
- Pages
- 807–810
- Publication date
- 10 February 2026
- Language
- EN