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MB Sample ID: SA052780

Local Sample ID:Control_4.3
Subject ID:SU000935
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Cell Biosource Or Supplier:ATCC
Cell Strain Details:Daoy (ATCC® HTB-186™)
Subject Comments:cancer cell line
Species Group:Human

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Combined analysis:

Analysis ID AN001460 AN001461
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Waters Acquity I-Class Waters Acquity I-Class
Column Waters Acquity BEH Amide (50 x 2.1mm,1.7um) Waters Acquity BEH Amide (50 x 2.1mm,1.7um)
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Waters Synapt G2 QTOF Waters Synapt G2 QTOF
Ion Mode POSITIVE NEGATIVE
Units Peak Area Peak Area

MS:

MS ID:MS001348
Analysis ID:AN001460
Instrument Name:Waters Synapt G2 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The raw data was converted to NetCDF files using the software DataBridge (Masslynx version 4.1, Waters). Peak detection and retention time alignment was performed using the R based software XCMS (Smith et al. 2006). The centWave function was used for peak detection and the function parameters were set as follows; the maximal deviation in m/z between scans was set to 8 ppm, the maximal and minimal peakwidth was set to 5 and 25 s respectively and the signal to noise ratio cutoff was set to 10. Retention time correction was performed using the “obiwarp” function.
Ion Mode:POSITIVE
Capillary Temperature:500°C
Capillary Voltage:1 kV
Collision Energy:20- 45 eV collision ramp, MSE acquistion
Source Temperature:120°C
Dataformat:NetCDF
Scan Range Moverz:m/z 50-800
  
MS ID:MS001349
Analysis ID:AN001461
Instrument Name:Waters Synapt G2 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The raw data was converted to NetCDF files using the software DataBridge (Masslynx version 4.1, Waters). Peak detection and retention time alignment was performed using the R based software XCMS (Smith et al. 2006). The centWave function was used for peak detection and the function parameters were set as follows; the maximal deviation in m/z between scans was set to 8 ppm, the maximal and minimal peakwidth was set to 5 and 25 s respectively and the signal to noise ratio cutoff was set to 10. Retention time correction was performed using the “obiwarp” function.
Ion Mode:NEGATIVE
Capillary Temperature:450°C
Capillary Voltage:2 kV
Collision Energy:20- 45 eV collision ramp, MSE acquistion
Source Temperature:120°C
Dataformat:NetCDF
Scan Range Moverz:m/z 50-800
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