Comparison Log
2024-06-09 05:30:49.918147
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003951/mwtab/...
Study ID:    ST002428
Analysis ID: AN003951
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', 'Full-MS scan spectra were acquired in the m/z range 75 – 1125, at a resolution of 70,000 (full width at half maximum (FWHM) at m/z 200) and 1×106 automatic gain control (AGC). MS/MS scan spectra were acquired at 17,500 resolution (FWHM at m/z 200), with 1×105 AGC, maximum injection time of 100 ms and dynamic exclusion of 6 s. Raw data files were independently processed by Compound Discoverer™ 3.1 (ThermoFisher Scientific) software for metabolomics data analysis. The preferred database used for metabolite identification was mzCloud – since the "Search mzCloud \'\' node searches this database for matching fragmentation spectra (MS2) – followed by ChemSpider. For both databases the mass tolerance that the software used to search for matching mass peaks was set at 3 ppm. In the case of the mzCloud search the parameter "FT Fragment Mass Tolerance"was set to 5 ppm. The Human Metabolome Database (HMDB) was selected as the primary source for the ChemSpider search.'), ('MS_COMMENTS', "Full-MS scan spectra were acquired in the m/z range 75 – 1125, at a resolution of 70,000 (full width at half maximum (FWHM) at m/z 200) and 1×106 automatic gain control (AGC). MS/MS scan spectra were acquired at 17,500 resolution (FWHM at m/z 200), with 1×105 AGC, maximum injection time of 100 ms and dynamic exclusion of 6 s. Raw data files were independently processed by Compound Discoverer™ 3.1 (ThermoFisher Scientific) software for metabolomics data analysis. The preferred database used for metabolite identification was mzCloud – since the Search mzCloud '' node searches this database for matching fragmentation spectra (MS2) – followed by ChemSpider. For both databases the mass tolerance that the software used to search for matching mass peaks was set at 3 ppm. In the case of the mzCloud search the parameter FT Fragment Mass Tolerancewas set to 5 ppm. The Human Metabolome Database (HMDB) was selected as the primary source for the ChemSpider search.")}