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MB Sample ID: SA242829
Local Sample ID: | DE52 |
Subject ID: | SU002517 |
Subject Type: | Human |
Subject Species: | Homo sapiens |
Taxonomy ID: | 9606 |
Age Or Age Range: | 18-65 |
Gender: | Male and female |
Human Exclusion Criteria: | HIV patients, respiratory infections beside TB, diabetes, chronic renal failure history and transplanted. individuals |
Select appropriate tab below to view additional metadata details:
Combined analysis:
Analysis ID | AN003951 | AN003952 |
---|---|---|
Analysis type | MS | MS |
Chromatography type | Reversed phase | Reversed phase |
Chromatography system | Dionex UltiMate 3000 UHPLC | Dionex UltiMate 3000 UHPLC |
Column | Waters XBridge C18 (50 x 2.1mm, 3um) | Waters XBridge C18 (50 x 2.1mm, 3um) |
MS Type | ESI | ESI |
MS instrument type | Orbitrap | Orbitrap |
MS instrument name | Thermo Q Exactive Focus | Thermo Q Exactive Focus |
Ion Mode | POSITIVE | NEGATIVE |
Units | ua | au |
MS:
MS ID: | MS003686 |
Analysis ID: | AN003951 |
Instrument Name: | Thermo Q Exactive Focus |
Instrument Type: | Orbitrap |
MS Type: | ESI |
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. |
Ion Mode: | POSITIVE |
MS ID: | MS003687 |
Analysis ID: | AN003952 |
Instrument Name: | Thermo Q Exactive Focus |
Instrument Type: | Orbitrap |
MS Type: | ESI |
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. |
Ion Mode: | NEGATIVE |