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MB Sample ID: SA323804

Local Sample ID:4
Subject ID:SU003097
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Male and female

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Combined analysis:

Analysis ID AN004903 AN004904
Analysis type MS MS
Chromatography type Ion exchange Reversed phase
Chromatography system Thermo Dionex ICS-5000+ Shimadzu Nexera X2
Column Dionex IonPac AS11-HC (250 x 2mm, 4um) Sigma-Aldrich Discovery HS F5-3 (150 x 2.1 mm, 3 um)
MS Type ESI ESI
MS instrument type Orbitrap Triple quadrupole
MS instrument name Thermo Q Exactive Focus LCMS-8060, Shimadzu Corporation
Ion Mode UNSPECIFIED UNSPECIFIED
Units Peak area/Internal Standard Peak area/Internal Standard

MS:

MS ID:MS004646
Analysis ID:AN004903
Instrument Name:Thermo Q Exactive Focus
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:For IC-HR-MS data analysis, the Trace Finder compound identification and confirmation setup parameters included a molecular ion intensity threshold override of 10,000, S/N 5, and mass tolerance of 5 ppm. Isotope pattern analysis using a 90% fit threshold, 30% allowable relative intensity deviation, and 5 ppm mass deviation was also performed to ensure that the relative intensities of the M + 1 and/or M + 2 isotope peaks for each compound were consistent with the theoretical relative intensities.
Ion Mode:UNSPECIFIED
  
MS ID:MS004647
Analysis ID:AN004904
Instrument Name:LCMS-8060, Shimadzu Corporation
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:For LC-MS/MS analysis, chromatographic peaks obtained with compound-specific SRM channels were integrated and manually reviewed. For a single target compound, one or more confirmatory SRM channels were set (if available) to confirm peak compound identification. Chromatograms were acquired using Lab Solutions (ver. 5.113, Shimadzu). Peak areas were determined using Data browser software.
Ion Mode:UNSPECIFIED
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