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MB Sample ID: SA128088

Local Sample ID:QPP08
Subject ID:SU001595
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:20-60
Weight Or Weight Range:BMI range: 20-35
Gender:Male and female
Human Race:White; American Indian/Alaskan Native; Black/African American
Human Ethnicity:Hispanic or Latino; Non-Hispanic or Latino
Human Trial Type:Intervention trial
Human Exclusion Criteria:Key exclusion criteria included inflammatory bowel disease, celiac disease, or other chronic intestinal disorders; prior bowel resection surgery other than appendectomy; baseline bowel frequency less than every 2 days or greater than 3 times daily; creatinine concentration greater than the upper limit of normal; diabetes mellitus; currently smoking; body mass index (BMI) <18.5 or >35; and use of antibiotics and probiotics in the prior 6 months

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Combined analysis:

Analysis ID AN002533 AN002534 AN002535 AN002536
Analysis type MS MS MS MS
Chromatography type HILIC Reversed phase HILIC Reversed phase
Chromatography system Shimadzu Nexera X2 Shimadzu Nexera X2 Shimadzu Nexera X2 Shimadzu Nexera X2
Column Waters Atlantis HILIC (150 x 2 mm, 3 μm) Waters Acquity BEH C8 (100 x 2.1mm, 1.7um) Phenomenex Luna NH2 (150 x 2.1mm, 3um) Waters Acquity T3 (150 x 2.1 mm, 1.7 um)
MS Type ESI ESI ESI ESI
MS instrument type Orbitrap Orbitrap Orbitrap Orbitrap
MS instrument name Thermo Exactive Plus Orbitrap Thermo Exactive Plus Orbitrap Thermo Q Exactive Plus Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE POSITIVE NEGATIVE NEGATIVE
Units unitless peak areas unitless peak areas unitless peak areas unitless peak areas

Chromatography:

Chromatography ID:CH001853
Chromatography Summary:HILIC-pos: high resolution and accurate mass profiling of polar metabolites using HILIC and positive ion mode full scan MS
Instrument Name:Shimadzu Nexera X2
Column Name:Waters Atlantis HILIC (150 x 2 mm, 3 μm)
Column Temperature:30 ℃
Flow Gradient:linear
Flow Rate:250 uL/min
Injection Temperature:4
Solvent A:10 mM Ammonium formate/0.1% Formic acid in water
Solvent B:0.1% Formic acid in Acetonitrile
Chromatography Type:HILIC
  
Chromatography ID:CH001854
Chromatography Summary:C8-pos: high resolution and accurate mass profiling of polar and nonpolar lipids using reversed phase C8 chromatography and positive ion mode full scan MS
Instrument Name:Shimadzu Nexera X2
Column Name:Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
Column Temperature:40 ℃
Flow Gradient:linear
Flow Rate:450 uL/min
Solvent A:10 mM Ammonium Acetate in 95:5:0.1, v:v:v Water: Methanol: Formic Acid
Solvent B:0.1% Formic Acid in Methanol
Chromatography Type:Reversed phase
  
Chromatography ID:CH001855
Chromatography Summary:HILIC-neg: high resolution and accurate mass profiling of polar metabolites using HILIC and negative ion mode full scan MS
Instrument Name:Shimadzu Nexera X2
Column Name:Phenomenex Luna NH2 (150 x 2.1mm, 3um)
Column Temperature:30 ℃
Flow Gradient:linear
Flow Rate:400 uL/min
Injection Temperature:4
Solvent A:20 mM Ammonium Acetate, 20 mM Ammonium Hydroxide in water
Solvent B:10 mM Ammonium Hydroxide in 25% Methanol/75% Acetonitrile
Chromatography Type:HILIC
  
Chromatography ID:CH001856
Chromatography Summary:C18-neg: high resolution and accurate mass profiling of metabolites of intermediate polarity using reversed phase C18 chromatography and negative ion mode full scan MS
Instrument Name:Shimadzu Nexera X2
Column Name:Waters Acquity T3 (150 x 2.1 mm, 1.7 um)
Column Temperature:45 ℃
Flow Gradient:linear
Flow Rate:450 uL/min
Injection Temperature:4
Solvent A:0.01% Formic acid in water
Solvent B:0.01% Acetic acid in Acetonitrile
Chromatography Type:Reversed phase
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