Summary of Study ST000557

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 PR000408. The data can be accessed directly via it's Project DOI: 10.21228/M89S3R This work is supported by NIH grant, U2C- DK119886.

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Study IDST000557
Study TitleMetabolites in CHEAR reference urine and plasma
Study TypeQuantitative analysis
Study SummaryTo determine the chemical composition of reference urine and plasma samples for untargeted metabolomic analysis in CHEAR untargeted resources.
Institute
University of Minnesota
DepartmentDepartment of Food Science and Nutrition
LaboratoryNutritional Metabolomics
Last NameChen
First NameChi
Address1334 Eckles Ave W, St Paul, MN 55108
Emailchichen@umn.edu
Phone612-624-7704
Submit Date2017-02-19
Num Groups1
Total Subjects2
Raw Data AvailableYes
Raw Data File Type(s)raw(Waters)
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2024-12-31
Release Version1
Chi Chen Chi Chen
https://dx.doi.org/10.21228/M89S3R
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000408
Project DOI:doi: 10.21228/M89S3R
Project Title:Reference urine sample in CHEAR untargeted resource
Project Summary:To determine the chemical composition of reference urine and plasma sample for untargeted metabolomic analysis in CHEAR untargeted resources.
Institute:University of Minnesota
Department:Department of Food Science and Nutrition
Laboratory:Nutritional Metabolomics
Last Name:Chen
First Name:Chi
Address:1334 Eckles Ave W, St Paul, MN 55108
Email:chichen@umn.edu
Phone:612-624-7704
Funding Source:NIEHS

Subject:

Subject ID:SU000579
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:pooled
Species Group:Mammals

Factors:

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

mb_sample_id local_sample_id Sample type
SA028781Ref20160726Plasma
SA028782Ref20160721Urine
Showing results 1 to 2 of 2

Collection:

Collection ID:CO000573
Collection Summary:Human urine and Plasma collected and processed by BioreclamationIVT. The plasma pool was created by combining recovered plasma obtained from 50 males and 50 females with an average age of 38.4 (range 19-72) and equal distribution of races.
Sample Type:urine and Plasma

Treatment:

Treatment ID:TR000593
Treatment Summary:The urine and plasma pool was created by combining recovered plasma obtained from 50 males and 50 females with an average age of 38.4 (range 19-72) and equal distribution of races.

Sample Preparation:

Sampleprep ID:SP000586
Sampleprep Summary:Urine samples were thawed on ice (thaw/freeze cycle=2) 3 aliquots of 100 uL urine samples were mixed with 100uL of acetonitrile with 2uM sulfadimethoxine (internal standard). The mixture was vortexed at 3000rpm for 10s, and centrifuged at 21000g at 4 oC for 10 min. Supernatant was transferred to HPLC vials and analyzed by LC/MS. Human reference plasma samples is derivatized with dansyl chloride (DC) prior to the LC-MS analysis. Briefly, 5 uL of sample or standard was mixed with 5 uL of of 100 µM indole-D5-L-tryptophan internal standard), 50 uL of 10 mM sodium carbonate, and 100 uL of DC solution (3 mg/mL in acetone). The mixture was incubated at 25°C for 15 min and centrifuged at 18,000 × g for 10 min, the supernatant was transferred into a HPLC vial for LC-MS analysis.
Processing Method:derivatization, vortex, centrifugation
Processing Storage Conditions:On ice

Combined analysis:

Analysis ID AN000855
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity
Column Waters Acquity BEH C18 (50 x 2.1mm,1.7um)
MS Type ESI
MS instrument type QTOF
MS instrument name Waters Xevo-G2-S
Ion Mode POSITIVE
Units uM

Chromatography:

Chromatography ID:CH000609
Chromatography Summary:for detecting derivatized amino acids
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH C18 (50 x 2.1mm,1.7um)
Column Pressure:15000psi (Max)
Column Temperature:40 C
Flow Gradient:0-0.5min-0.5%B, 0.5-4min-gradient to 20%B, 4-8min-gradient to 95%B, 8-8.1min-gradient to 100%B, 8.1-9min-100%B, 9-9.1min gradient to 0.5%B, 9.1-10min-0.5%B
Flow Rate:0.5mL/min
Sample Injection:5 uL
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:10min
Weak Wash Solvent Name:50% methanol in water
Weak Wash Volume:500 uL
Strong Wash Solvent Name:50% isopropanol, 25% acetonitrile and 25% water
Strong Wash Volume:500 uL
Sample Loop Size:20 uL
Chromatography Type:Reversed phase

MS:

MS ID:MS000756
Analysis ID:AN000855
Instrument Name:Waters Xevo-G2-S
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
Mass Accuracy:<5 ppm
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