Metabolite Identification

LC-MS-SPE-NMR for the isolation and characterization of neo-clerodane diterpenoids from Teucrium luteum subsp. flavovirens (perpendicular)

Type of publication: 
Matching Publication
Authors: 
A. Castro, S. Moco, J. Coll, J.J. Vervoort
Authors from the NMC: 
Jacques Vervoort
Published in: 
Journal of Natural Products
Date of publication: 
2010/05
Link to publication: 
http://pubs.acs.org/doi/pdf/10.1021/np9005025
Status of the publication: 
Published/accepted
Theme: 
Metabolite identification

neo-Clerodane diterpenes of plant origin are molecules difficult to monitor due to their nonspecific UV/vis absorption. The present work describes for the first time the application of the LC-MS-SPE-NMR technique for the isolation and characterization of three new neo-clerodane diterpenes, 3beta-hydroxyteucroxylepin and teuluteumin A and teuluteumin B, from Teucrium luteum subsp. flavovirens, harvested from two different locations.

 

Theme: 
Metabolite Identification
Pages: 
2010; 73 (5): 962-965
DOI: 
10.1021/np9005025
Publication data (text): 
2010

Understanding and classifying metabolite space and metabolite-likeness

Type of publication: 
NMC Publication
Authors: 
J.E. Peironcely, T.H. Reijmers, L. Coulier, A. Bender, T. Hankemeier
Authors from the NMC: 
Julio Peironcely
Theo Reijmers
Thomas Hankemeier
Published in: 
PLoSOne
Date of publication: 
2011/12
Link to publication: 
http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0028966
Status of the publication: 
Published/accepted
Theme: 
Metabolite identification
Project: 
Top down identification of unknown metabolites: structure generation and candidate rejection
Theme: 
Metabolite Identification
Pages: 
2011; 6 (12), e28966
DOI: 
10.1371/journal.pone.0028966

Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation

Type of publication: 
NMC Publication
Authors: 
J.J.J. van der Hooft, J. Vervoort, R.J. Bino, J. Beekwilder, R.C.H. de Vos
Authors from the NMC: 
Justin van der Hooft
Jacques Vervoort
Ric de Vos
Published in: 
Analytical Chemistry
Date of publication: 
2011/01
Link to publication: 
http://pubs.acs.org/doi/pdf/10.1021/ac102546x
Status of the publication: 
Published/accepted
Theme: 
Metabolite identification
Project: 
Systematic metabolite identification strategies using LC-SPE-NMR-MSn
Theme: 
Metabolite Identification
Pages: 
2011; 83 (1): 409-416
DOI: 
10.1021/ac102546x
Publication data (text): 
2011

Metabolite identification

Type of theme: 
Core
Short description: 
Because of a bottleneck in metabolite identification, the large number of metabolites in body fluid still remains unknown, the development of innovative identification methods is mandatory. This hampers biomarker research for the innovative food and pharmaceutical industries. Metabolite identification projects have been designed to improve the current state of metabolite identification strategies.
In view of a major bottleneck in metabolite identification, the large number of metabolites in body fluid still remaining unknown, the development of innovative identification methods is mandatory. This bottleneck hampers biomarker research for the innovative food and pharmaceutical industries Such innovations are also desirable because the number of scientists with sufficient identification skills is steadily diminishing.
Theme leader: 
Theo Reijmers
Theme: 
Metabolite Identification