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MB Sample ID: SA071253

Local Sample ID:C-1FS55-U-00
Subject ID:SU001090
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN001716 AN001717
Analysis type MS MS
Chromatography type HILIC Reversed phase
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II
Column SeQuant ZIC-pHILIC (100 x 2.1mm,3.5um) Agilent Zorbax Eclipse Plus C18 (50 x 2.1mm, 1.8 um)
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Agilent 6550 QTOF Agilent 6550 QTOF
Ion Mode POSITIVE NEGATIVE
Units Peak Intensity Peak Intensity

Chromatography:

Chromatography ID:CH001212
Chromatography Summary:Sample extracts were analyzed using an ultra-high performance liquid chromatography (UHPLC) 1290 Infinity II system (including 0.3 µm inline filter, Agilent Technologies, Santa Clara, USA) with 1260 Infinity II isocratic pump (including 1:100 splitter) coupled to a 6550 iFunnel quadrupole-time time of flight (Q-TOF) mass spectrometer with a dual AJS electrospray ionization source (Agilent Technologies, Santa Clara, USA). Samples were maintained at 5C in the autosampler module. For polar metabolites separation, 2 uL of sample was injected onto a HILIC SeQuant® ZIC®-HILIC column (100 mm × 2.1 mm, 100 Å, 3.5 µm particle size, Merck, Darmstadt, Germany) with a guard fitting (14 mm × 1 mm, 5.0 µm particle size, Merck, Darmstadt, Germany) maintained at 25C. Separation occurred using Mobile phase A consisted of water with 0.1% formic acid and Mobile phase B consisted of Acetonitrile with 0.1% formic acid at a flow rate of 0.3 ml/min as described in Table 1. Data was acquired with a mass range of 40-1200 m/z. Solvent gradients were as follows: 95% solvent B, hold for 1.5 min; linear decrease to 40% solvent B at 12 minutes; hold for 2 min, linear decrease to 25% solvent B at 14.2 min, hold for 2.8 min; increase to 95% solvent B at 18 min, hold for 7 min.
Instrument Name:Agilent 1290 Infinity II
Column Name:SeQuant ZIC-pHILIC (100 x 2.1mm,3.5um)
Column Temperature:25C
Flow Rate:0.3 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:25 min
Chromatography Type:HILIC
  
Chromatography ID:CH001213
Chromatography Summary:Sample extracts were analyzed using an ultra-high performance liquid chromatography (UHPLC) 1290 Infinity II system (including 0.3 µm inline filter, Agilent Technologies, Santa Clara, USA) with 1260 Infinity II isocratic pump (including 1:100 splitter) coupled to a 6550 iFunnel quadrupole-time time of flight (Q-TOF) mass spectrometer with a dual AJS electrospray ionization source (Agilent Technologies, Santa Clara, USA). Samples were maintained at 5C in the autosampler module. For nonpolar metabolites separation, 2 uL of sample sandwiched between 10 uL of water was injected onto a Zorbax Eclipse Plus C18, RRHD column (50 mm × 2.1 mm, 1.8 µm particle size, Agilent Technologies, Santa Clara, USA) coupled to a guard column (5 mm × 2 mm, 1.8 µm Agilent Technologies, Santa Clara, USA) maintained at 50C. Separation occurred using Mobile phase A consisted of water with 0.1% formic acid and Mobile phase B consisted of 2-propanol:ACN (90:10, v/v) with 0.1% formic acid at a flow rate of 0.4 ml/min as described in Table 2. Data was acquired with a mass range of 50-1200 m/z. Solvent gradients were as follows: 5% solvent B; linear increase to 98% solvent B at 13.5 min, hold for 1.5 min; decrease to 5% solvent B at 15.5 min, hold for 3.5 min.
Instrument Name:Agilent 1290 Infinity II
Column Name:Agilent Zorbax Eclipse Plus C18 (50 x 2.1mm, 1.8 um)
Column Temperature:50C
Flow Rate:0.4 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:90% isopropanol/10% acetonitrile; 0.1% formic acid
Analytical Time:19 min
Chromatography Type:Reversed phase
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