Evaluation of BAYESIL for automated annotation of ¹H NMR data using limited sample volumes: application to African elephant serum.

ABSTRACT:

Introduction

Technological advancements enabled the analyses of limited sample volumes on ¹H NMR. Manual spectral profiling of the data is, however, complex, and timely.

Objective

To evaluate the performance of BAYESIL for automated identification and quantification of ¹H NMR spectra of limited volume samples.

Method

Aliquots of a pooled African elephant serum sample were analyzed using standard and reduced volumes. Performance was evaluated on confidence scores, non-detects and laboratory CV.

Results

Of the 47 compounds detected, 28 had favorable performances. The approach could differentiate samples based on biological variation.

Conclusions

BAYESIL is valuable for limited sample ¹H NMR data analyses.

SUBMITTER: van Zyl CW 

PROVIDER: S-EPMC10063514 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature