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MB Sample ID: SA333492

Local Sample ID:S25061
Subject ID:SU003217
Subject Type:Cultured cells
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN005076
Analysis type MS
Chromatography type HILIC
Chromatography system Ulitmate 3000
Column SeQuant ZIC-pHILIC (150 x 4.6mm,5um)
MS Type ESI
MS instrument type Triple quadrupole
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode UNSPECIFIED
Units Arbitrary units

MS:

MS ID:MS004814
Analysis ID:AN005076
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:M.13 Polar metabolites (pHILIC Hybrid). MS analyses were carried out by coupling the LC system to a Thermo Q Exactive HFTM mass spectrometer operating in heated electrospray ionization mode (HESI). Method duration was 30 min with a polarity switching data-dependent Top 5 method for both positive and negative modes. Spray voltage for both positive and negative modes was 3.5kV and capillary temperature was set to 320oC with a sheath gas rate of 35, aux gas of 10, and max spray current of 100 μA. The full MS scan for both polarities utilized 120,000 resolution with an AGC target of 3e6 and a maximum IT of 100 ms, and the scan range was from 67-1000 m/z. Tandem MS spectra for both positive and negative mode used a resolution of 15,000, AGC target of 1e5, maximum IT of 50 ms, isolation window of 0.4 m/z, isolation offset of 0.1 m/z, fixed first mass of 50 m/z, and 3-way multiplexed normalized collision energies (nCE) of 10, 35, 80. The minimum AGC target was 1e4 with an intensity threshold of 2e5. All data were acquired in profile mode.
Ion Mode:UNSPECIFIED
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