Say “I Do” to New ID Tools: A Novel Untargeted Approach to Unveil the Metabolome

Untargeted metabolomics provides an opportunity to interrogate a sample for systems biology and biomarker discovery for life science researchers.

Discussed here is a comprehensive untargeted analysis workflow for metabolomics.

Plasma samples from mouse models were processed using automated sample prep workflow and analyzed using HILIC chromatography and the 6546 LC/Q-TOF which provided high resolution, extended dynamic range, and isotopic fidelity for the highest confidence in identification. A custom and transferable MS/MS and retention time library for over 400 core metabolites was built for identification. When a true unknown was discovered, SIRIUS/CSI:FingerID software was used for identification based on the MS/MS fragment profile.

Presenter: Karen Yannell (LC/MS Application Engineer, Agilent Technologies, Inc.)

Karen E. Yannell is a LC/MS Application Engineer at Agilent Technologies. She is an expert in small molecule high throughput analysis by triple quadrupole (TQ) and quadrupole time-of-flight (QTOF) mass spectrometry for applied markets. Her recent work has focused on developing routine Q-TOF workflows for both expert and non-expert users alike. Previously, Karen worked on forensic, metabolomics, and biomarker discovery applications with ambient ionization sources. She received her PhD in Analytical Chemistry from Purdue University where studied under the advisement of Prof. R. Graham Cooks. Outside of the laboratory, she enjoys cooking unique dishes and hiking along the beach with her dog.