Summary of Study ST000553

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR000405. The data can be accessed directly via it's Project DOI: 10.21228/M8Q01S This work is supported by NIH grant, U2C- DK119886.

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Study IDST000553
Study TitleCHEAR UT Urine and Plasma Pool Characterization
Study SummaryAnalyze CHEAR UT urine and plasma pool in six replicates
Institute
Mount Sinai
Last NameAndra
First NameSyam
AddressMount Sinai
Emailsyam.andra@mssm.edu
Phone212-241-7369
Submit Date2017-02-14
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2024-12-31
Release Version1
Syam Andra Syam Andra
https://dx.doi.org/10.21228/M8Q01S
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000405
Project DOI:doi: 10.21228/M8Q01S
Project Title:UT Pool Characterization
Project Type:Reference Material Characterization
Project Summary:Human Urine and Plasma (pool)
Institute:Mount Sinai
Department:Environmental Medicine and Public Health
Laboratory:Lautenberg Environmental Health Sciences Laboratory, Mount Sinai
Last Name:Andra
First Name:Syam
Address:1428 Madison Avenue, Atran Bldg., Floor 3, Room 002
Email:syam.andra@mssm.edu
Phone:212-241-7369
Funding Source:NIEHS
Project Comments:CHEAR_UT Pool Characterization

Subject:

Subject ID:SU000575
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Species Group:Mammals

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample type
SA028721Plasma_UT_Rep3Plasma
SA028722Plasma_UT_Rep4Plasma
SA028723Plasma_UT_Rep6Plasma
SA028724Plasma_UT_Rep2Plasma
SA028725Plasma_UT_Rep5Plasma
SA028726Plasma_UT_Rep1Plasma
SA028727Urine_UT_Rep3Urine
SA028728Urine_UT_Rep2Urine
SA028729Urine_UT_Rep4Urine
SA028730Urine_UT_Rep5Urine
SA028731Urine_UT_Rep6Urine
SA028732Urine_UT_Rep1Urine
Showing results 1 to 12 of 12

Collection:

Collection ID:CO000569
Collection Summary:UT urine and plasma reference pools were supplied by the CHEAR Emory Lab Hub
Sample Type:Blood

Treatment:

Treatment ID:TR000589
Treatment Summary:Not available

Sample Preparation:

Sampleprep ID:SP000582
Sampleprep Summary:Sample preparation Plasma: Plasma samples were stored at -80°C until the day of the analysis. Metabolite extraction was performed by adding 300μL of cold LC-MS grade methanol (containing ISTDs) to 100μL of plasma. Samples were centrifuged to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of 60μL of the supernatants was transferred to 2 separate LC vials for Reversed-phase chromatography and positive and negative ESI mode detection. Extracts were evaporated to dryness using a speed vac system. The extracts were reconstituted using 50μL of methanol on the day of analysis. In case of the HILIC analysis (positive and negative ESI detection), the extracts were reconstituted using 50μL acetonitrile: water in 8:2 ratio. Urine: Urine samples were stored at -80°C until the day of the analysis. Metabolite extraction was performed by adding 180μL of Acetonitrile (containing ISTDs) to 20μL of urine. Samples were centrifuged to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of 40μL of the supernatants was transferred to 4 separate LC vials (RP and HILIC mode, positive and negative ESI analysis).

Combined analysis:

Analysis ID AN000845 AN000846 AN000847 AN000848
Analysis type MS MS MS MS
Chromatography type Reversed phase Reversed phase HILIC HILIC
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II Agilent 1290 Infinity II Agilent 1290 Infinity II
Column Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) EMD Millipore ZIC-HILIC (100 x 2.1mm,3.5um) EMD Millipore ZIC-HILIC (100 x 2.1mm,3.5um)
MS Type ESI ESI ESI ESI
MS instrument type QTOF QTOF QTOF QTOF
MS instrument name Agilent 6550 QTOF Agilent 6550 QTOF Agilent 6550 QTOF Agilent 6550 QTOF
Ion Mode POSITIVE NEGATIVE POSITIVE NEGATIVE
Units Peak Area Peak Area Peak Area Peak Area

Chromatography:

Chromatography ID:CH000604
Chromatography Summary:Metabolites were separated using a C18 column, Zorbax Eclipse Plus C18 (2.1 x 100 mm, 1.8μm particle size), mobile phase A: water and mobile phase B: IPA/ACN(90:10) both with 0.1% HCOOH at a flow rate of 400μL/min injecting 2μL of extracts on a 1290 Infinity II LC System (Agilent Technologies).
Instrument Name:Agilent 1290 Infinity II
Column Name:Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um)
Flow Rate:400µL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:90% isopropanol/10% acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase
  
Chromatography ID:CH000605
Chromatography Summary:Polar metabolites were analyzed using a EMD Millipore ZIC-HILIC (100 mm x 2.1 mm ID, 3.5μm) column, mobile phase A: water with 0.1% formic acid and B: Acetonitrile with 0.1% formic acid at a flow rate 300μL/min. 2μL of extract were injected on a 1290 Infinity II LC System (Agilent Technologies). For the negative ionization mode, mobile phase A was 10mM ammonium acetate and B was acetonitrile.
Instrument Name:Agilent 1290 Infinity II
Column Name:EMD Millipore ZIC-HILIC (100 x 2.1mm,3.5um)
Flow Rate:300µL/min
Solvent A:Pos mode:100% water; 0.1% formic acid, Neg mode:100% water; 10 mM ammonium acetate
Solvent B:Pos mode:100% acetonitrile; 0.1% formic acid, Neg mode:100% acetonitrile
Chromatography Type:HILIC

MS:

MS ID:MS000746
Analysis ID:AN000845
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
  
MS ID:MS000747
Analysis ID:AN000846
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
Ion Mode:NEGATIVE
  
MS ID:MS000748
Analysis ID:AN000847
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
  
MS ID:MS000749
Analysis ID:AN000848
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
Ion Mode:NEGATIVE
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