High-mass resolution multi-stage mass spectrometry (MSn) fragmentation was tested for differentiation and identification of metabolites, using a series of 121 polyphenolic molecules. The MSn fragmenta
Here, we proposed a general method of a knowledge-based hybrid molecular network (KHMN) that was coconstructed by untargeted metabolomics MS/MS spectra with heterogeneous MS/MS spectra of interesting
This is the test dataset using which the vignette of the package DuReS was developed. Reference to the original paper from which this samples dataset was derived is given below: Shen, Xiaotao, et al.
