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MS-DIAL pre-processing for mining schistosomiasis metabolites in urine samples from the Okavango Delta of Botswana
Sedireng M Tawana-Ndolo1,2, Matshediso Zachariah1, Nthabiseng A Phaladze3
1School of Allied Health Professions, Faculty of Health Sciences, University of Botswana, Gaborone, Botswana.
Background:
Metabolites were re-mined using MS-DIAL from an SPME dataset preprocessed using AMDIS/Metab R in which data was acquired by GC-MS from schistosomiasis infected (positive) and non-infected (negative)/control samples from school-going children aged between 9 and 12 years in the Okavango Delta region of Botswana. The remining was meant to exhaust scouring for metabolites that could have been overshadowed by Metab R.
Methods:
In this study, MS-DIAL open-source freeware was used to preprocess the same dataset to increase the number of identified metabolites and to distinguish positive and control samples.
Results:
Ninety-nine (99) metabolites were mined using MS-DIAL in contrast to thirteen identified putatively using Metab R. Both naphthalene and benzophenone, used as surrogate, and internal standards, had greater than 90% match factors using m/z ratios 128 and 105, respectively, for deconvolution with retention time similarity scores of 1000 in all the samples they were added to.
Conclusion:
More metabolites were mined using MS-DIAL compared to Metab R thus confirming the preprocessing power of the earlier compared to the latter.
