on 06-14-201902:23 AM - edited on 10-15-202108:21 AM by Closed Account
David A. Peake, Reiko Kiyonami, Ioanna Ntai, Amanda Souza and Ralf Tautenhahn
Purpose: Demonstrate confidence in metabolite annotation from ultra-high resolution LC-MS and data dependent MS2 data using a combined global semi-targeted (GST) metabolomics workflow.
Methods: NIST SRM1950 human plasma was analyzed using data dependent LC-MS/MS analysis and the AcquireX data acquisition strategy. A list of highly-confident annotations was prepared and 58 reference compounds were targeted for confirmation of metabolite annotations.
Results: Comparing the results from standard mixtures, SRM1950 plasma and spiked plasma extracts provided unequivocal evidence that 56 out of the 58 compounds were identified.
Thermo Fisher Scientific, 355 River Oaks Parkway, San Jose, CA, USA, 95134