Visible Post-Data Analysis Protocol for Natural Mycotoxin Production
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY(2020)
Abstract
Fungal natural products are routinely analyzed using target detection protocols by comparing to commercial standards. However, discovery of new products suffers from a lack of high-throughput analytical techniques. Post-data process techniques have become popular tools for natural product confirmations and mycotoxin family analysis. In this work, a visible post-data process procedure with MZmine, GNPS, and Xcalibur was used for efficient analysis of high-resolution mass spectrometry. Conjugated products were screened with an optimized diagnostic fragmentation filtering module in MZmine and further confirmed with Xcalibur by comparing to unconjugated commercial standards. MS/MS spectral data were processed and used to establish a feature based on a molecular networking map in GNPS (Global Natural Products Social Molecular Networking; https://gflps.ucsd.edu), for visualization of fungal natural product families. The results demonstrate the potential of combining MZmine-, GNPS-, and Xcalibur-based methods for visible analysis of fungal natural products.
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Key words
visible post-data analysis,natural production,Alternaria mycotoxin,molecular networking
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