2019
DOI: 10.1016/j.foodchem.2019.05.099
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In silico annotation of discriminative markers of three Zanthoxylum species using molecular network derived annotation propagation

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Cited by 17 publications
(16 citation statements)
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“…To determine the chemical composition of SBE, the raw MS/MS data were processed for feature detection and alignment with MS-DIAL software version 4.48 (Blaženović et al, 2017). The detailed settings are listed in Supplementary Table 1, and are adapted from Lee et al (2019). To gain a high confidence in the peak identification, only the features present in both runs from the same sample were considered for alignment correction.…”
Section: Chemical Profiling Of Sunflower Bark Extract Using Uhplc-pda...mentioning
confidence: 99%
“…To determine the chemical composition of SBE, the raw MS/MS data were processed for feature detection and alignment with MS-DIAL software version 4.48 (Blaženović et al, 2017). The detailed settings are listed in Supplementary Table 1, and are adapted from Lee et al (2019). To gain a high confidence in the peak identification, only the features present in both runs from the same sample were considered for alignment correction.…”
Section: Chemical Profiling Of Sunflower Bark Extract Using Uhplc-pda...mentioning
confidence: 99%
“…Recently, network annotation propagation (NAP) has been introduced as an alternative annotation method, which uses in silico prediction with a re-ranking system to increase annotation accuracy [26]. Although NAP cannot provide the level of confidence required for the exact identification of compounds, it enables a class level of annotation and candidate prioritization of unknown fragmented mass spectrum [27]. Using NAP, the consensus candidates of m/z 383.2025 were characterized to be oxadiazoles, but m/z 303.1402 and 699.3502 were not categorized in silico (Figure 5B).…”
Section: Putative Identification Of Differentially Induced Metabolitesmentioning
confidence: 99%
“…Liquid chromatography-mass spectrometry (LC-MS) is a widely used technique in plant metabolomics. A high sensitivity and strong compatibility with biomolecules make LC-MS suitable for profiling chemical composition from a large quantity of data [25,26]. Metabolomics with multivariate analysis techniques is useful for nontargeted metabolic profiling [27].…”
Section: Introductionmentioning
confidence: 99%