0000000000399700
AUTHOR
Jean-claude Tabet
Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study
This work was presented at the 6th Journée Scientifique du Réseau Français de Métabolomique et Fluxomique, Nantes, May 2012 and at the 8th International Conference of the Metabolomics Society, Washington, June 2012This work was presented at the 6th Journée Scientifique du Réseau Français de Métabolomique et Fluxomique, Nantes, May 2012 and at the 8th International Conference of the Metabolomics Society, Washington, June 2012; The metabo-ring initiative brought together five nuclear magnetic resonance instruments (NMR) and 11different mass spectrometers with the objective of assessing the reliability of untargeted metabolomics approaches in obtaining comparable metabolomics profiles. This wa…
Structural „memory effects” influencing decompositions of glucose alkoxide anions produced from monoterpene glycoside isomers in tandem mass spectrometry
Isomeric glycoconjugates have been distinguished using desorption negative-ion chemical ionization/tandem mass spectrometry (DNCI–MS/MS). The structure of the leaving terpene influences the orientation of consecutive decompositions during collisionally activated decomposition (CAD) of [M–H]− ions which pass through a glucose alkoxide intermediate ion. This apparent „memory effect” can be rationalized by considering the production of anion-induced dipole complexes.