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MB Sample ID: SA220909

Local Sample ID:L37_V6
Subject ID:SU002383
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN003752 AN003753
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II
Column Waters Atlantis dC18 (100 x 3mm,3um) Waters Atlantis dC18 (100 x 3mm,3um)
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Agilent 6550 QTOF Agilent 6550 QTOF
Ion Mode NEGATIVE POSITIVE
Units peak area (pareto-scaled, log2-transformed, 24h creatinine normalised) peak area (pareto-scaled, log2-transformed, 24h creatinine normalised)

Chromatography:

Chromatography ID:CH002777
Chromatography Summary:Analysis of serum and urine samples was performed using a published LC-QTOF-MS acquisition method, which employed a 1290 Infinity II HPLC coupled to a 6550 QTOF-MS equipped with dual AJS electrospray ionisation source (Agilent, Cheadle, UK). Data acquisition parameters are detailed in brief below and in full in Supplementary Materials. Reversed-phase LC was performed on an Atlantis dC18 column (3×100 mm, 3 μm, Waters, Manchester, UK) maintained at 60 °C. Mobile phase composition was (A) water and (B) methanol, both with 5 mmol/L ammonium formate and 0.1 % formic acid. The elution gradient began at 5 % B 0–1 min and increased linearly to 100 % B by 12 min, held at 100 % B until 14 min, then at 5 % B for a further 5 min. MS data acquisition was performed in positive and negative ionisation polarity with mass range 50–1700 in 2 GHz mode with acquisition rate at 3 spectra/second. Sample injection volume was 1 and 2 µL in negative and positive polarities, respectively.
Instrument Name:Agilent 1290 Infinity II
Column Name:Waters Atlantis dC18 (100 x 3mm,3um)
Column Temperature:60
Flow Gradient:The elution gradient began at 5 % B 0–1 min and increased linearly to 100 % B by 12 min, held at 100 % B until 14 min, then at 5 % B for a further 5 min.
Solvent A:100% water; 0.1% formic acid; 5mM ammonium formate
Solvent B:100% methanol; 0.1% formic acid; 5mM ammonium formate
Chromatography Type:Reversed phase
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