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MB Sample ID: SA207562

Local Sample ID:DT2
Subject ID:SU002250
Subject Type:Cultured cells
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN003546
Analysis type MS
Chromatography type Reversed phase
Chromatography system Agilent 1290 ultrahigh pressure liquid chromatography system
Column Agilent rapid resolution HT Zorbax SB-C18
MS Type ESI
MS instrument type QTOF
MS instrument name Agilent 6550 QTOF
Ion Mode POSITIVE
Units Peak area

MS:

MS ID:MS003304
Analysis ID:AN003546
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Mass data were collected between m/z 100 and 1000 at a rate of two scans per second. The ion spray voltage was set at 4,000 V, and the heated capillary temperature was maintained at 350°C. The drying gas and nebulizer nitrogen gas flow rates were 12.0 L/min and 50 psi, respectively. Two reference masses were continuously infused to the system to allow constant mass correction during the run: m/z 121.0509 (C5H4N4) and m/z 922.0098 (C18H18O6N3P3F24). Raw spectrometric data were analyzed by MassHunter Qualitative Analysis software (Agilent Technologies, US) and the molecular features characterized by retention time, chromatographic peak intensity and accurate mass, were obtained by using the Molecular Feature Extractor algorithm. The features were then analyzed by MassHunter Mass Profiler Professional software (Agilent Technologies, US). Only features with an intensity ≥ 20,000 counts (approximately three times the limit of detection of our LC-MS instrument), and found in at least 80% of the samples at the same sampling time point signal were kept for further processing. Next, a tolerance window of 0.15 min and 2 mDa was used for alignment of RT and m/z values.
Ion Mode:POSITIVE
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