Optimization of LC-MS
GNPS
MZmine2
data-dependent acquisition
feature-based molecular networking
optimization
Journal
Metabolites
ISSN: 2218-1989
Titre abrégé: Metabolites
Pays: Switzerland
ID NLM: 101578790
Informations de publication
Date de publication:
14 Mar 2022
14 Mar 2022
Historique:
received:
13
02
2022
revised:
04
03
2022
accepted:
11
03
2022
entrez:
24
3
2022
pubmed:
25
3
2022
medline:
25
3
2022
Statut:
epublish
Résumé
Since the introduction of the online open-source GNPS, molecular networking has quickly become a widely applied tool in the field of natural products chemistry, with applications from dereplication, genome mining, metabolomics, and visualization of chemical space. Studies have shown that data dependent acquisition (DDA) parameters affect molecular network topology but are limited in the number of parameters studied. With an aim to optimize LC-MS
Identifiants
pubmed: 35323688
pii: metabo12030245
doi: 10.3390/metabo12030245
pmc: PMC8953742
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Marine Institute
ID : PBA/MB/16/01
Organisme : Science Foundation Ireland
ID : SFI/15/1A/3100
Pays : Ireland
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