Sentence examples for metabolite spectra using from inspiring English sources

All database entries in BinBase were matched against the Fiehn mass spectral library of 1,200 authentic metabolite spectra using retention index and mass spectrum information or the NIST05 commercial library.

Spectra were analyzed using LCModel software (version 6.2-1; http://s-provench-er.com) that fits in vivo metabolite spectra using model resonances acquired under comparable scanning conditions from multiple compounds in standard phantom solutions (22).

All database entries in BinBase were matched against the Fiaehn mass spectral library of 1,200 authentic metabolite spectra using retention index and mass spectrum information or the NIST05 commercial library.

All database entries in BinBase were matched against the Fiehn mass spectral library of 1,200 authentic metabolite spectra using retention index and mass spectrum information or the NIST11 commercial library.

Concerning the direct quantitation of metabolites from H NMR spectra using a standard compound knowledge-base, even though more sophisticated methods are available, this remains a simple strategy.

Up to now, GWAS using metabolic traits mainly focused on metabolites that were identified by the annotation of MS and NMR spectra using reference spectra in existing databases.

Metabolite concentrations in basal-like (MAS98.12) and luminal-like (MAS98.06) xenografts calculated from HR MAS MRS spectra using the ERETIC method (μmol/g, mean ± SD, * p < 0.01, ** p < 0.001) The HR MAS MRS spectra from the tissue samples were retrieved from our internal database, and mean spectra from the two groups are shown in Figure 1.

This conventional approach typically involves the generation of a list of dysregulated metabolite features from an initial set of experiments followed by statistical analysis and manual selection of precursor ions, which are then fragmented to obtain mass spectra used for metabolite characterization.

A novel approach by Heinonen et al[169] predicts molecular properties of the unknown metabolite from the mass spectrum using a support vector machine, then uses these predicted properties for matching against molecular structure databases such as KEGG (Kyoto Encyclopedia of Genes and Genomes) and PubChem (see Figure 4).

For the processing of metabolite spectra, remaining water signal was removed using HLSVD filter and amplitudes of Cho, Cr and NAA signals were calculated with AMARES [18] [19].

Other explanations, like the use of secondary metabolite spectra to inform other cells of the same species about the physiological status of a given cell cannot be ruled out either.