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MB Sample ID: SA242806

Local Sample ID:C5
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

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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
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