Comparison of Two Automated Targeted Metabolomics Programs to Manual Profiling by an Experienced Spectroscopist for
1H-NMR
BATMAN
Mnova
manual profiling
pediatric sepsis
rDolphin
targeted profiling
Journal
Metabolites
ISSN: 2218-1989
Titre abrégé: Metabolites
Pays: Switzerland
ID NLM: 101578790
Informations de publication
Date de publication:
04 Mar 2022
04 Mar 2022
Historique:
received:
16
12
2021
revised:
26
02
2022
accepted:
02
03
2022
entrez:
24
3
2022
pubmed:
25
3
2022
medline:
25
3
2022
Statut:
epublish
Résumé
Automated programs that carry out targeted metabolite identification and quantification using proton nuclear magnetic resonance spectra can overcome time and cost barriers that limit metabolomics use. However, their performance needs to be comparable to that of an experienced spectroscopist. A previously analyzed pediatric sepsis data set of serum samples was used to compare results generated by the automated programs rDolphin and BATMAN with the results obtained by manual profiling for 58 identified metabolites. Metabolites were selected using Student's
Identifiants
pubmed: 35323670
pii: metabo12030227
doi: 10.3390/metabo12030227
pmc: PMC8949809
pii:
doi:
Types de publication
Journal Article
Langues
eng
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