Identification of Metabolite Toxins
EMSL Project ID
50481
Abstract
This project will collect data on ion-mobility, accurate mass and compound fragmentation data using an ESI-IMS-MS/MS system for a number of metabolite toxins and structurally similar compounds. This data will be used for defining the data characteristics that will be used for identification of toxins even in the absence of chemical standards. This will be done by comparing measured characteristics to those predicted from computational chemistry. The goal is to define class characteristics of toxins classes so that new structural analogues of toxins can be classified correctly. The second stage of this study will be to perform a blind study of toxins previously analyzed and those not previously analyzed along with structurally similar compounds to determine the accuracy of identification. A third sample type will be extracts from environmental sources of the same metabolite aquatic toxins to determine if new toxin analogues can be identified in these samples. Metrics for compound identification will be developed from the initial studies. The compounds that will be analyzed include: Microcystins LY, LR, LW; a,b,g-Amanitins; Nodularin; Saxitoxins: STX, neosaxitoxin, gonyautoxins I-IV.; Other Peptide and metabolite standards: Lipopeptides- Daptomycin, iturin, fengycin, cyclosporine ;Siderophores- ferrichrome, ferrioxamine ;Nitrogen bases – guanine, uric acid, adenine, acyclovir
Project Details
Start Date
2018-09-11
End Date
2020-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members