Ontology highlight
ABSTRACT:
INSTRUMENT(S): micrOTOF-Q II ESI-Qq-TOF (Bruker)
SUBMITTER: Frederik Walter
PROVIDER: MTBLS128 | MetaboLights | 2015-10-06
REPOSITORIES: MetaboLights
Kessler Nikolas N Walter Frederik F Persicke Marcus M Albaum Stefan P SP Kalinowski Jörn J Goesmann Alexander A Niehaus Karsten K Nattkemper Tim W TW
PloS one 20141126 11
Adduct formation, fragmentation events and matrix effects impose special challenges to the identification and quantitation of metabolites in LC-ESI-MS datasets. An important step in compound identification is the deconvolution of mass signals. During this processing step, peaks representing adducts, fragments, and isotopologues of the same analyte are allocated to a distinct group, in order to separate peaks from coeluting compounds. From these peak groups, neutral masses and pseudo spectra are ...[more]