Summary of Study ST000535

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 PR000394. The data can be accessed directly via it's Project DOI: 10.21228/M84606 This work is supported by NIH grant, U2C- DK119886.

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Study IDST000535
Study TitleCHEAR Urine Reference Material Proficiency Test NMR (Part I)
Study TypeMetabolomics
Study SummaryCHEAR Reference Material Urine was provided by Emory University. The material was prepared and analyzed using the NMR metabolomics workflow of the Eastern Regional Metabolomics Resource Core. Data of six samples were acquired of the sample reference material prepared in replicate.
Institute
RTI International
DepartmentDiscovery-Sciences-Technology (DST)
LaboratoryRTI CHEAR Analytical Hub - Untargeted Analysis Resource Core
Last NameFennell
First NameTimothy
Address3040 E Cornwallis Road, Research Triangle Park, NC 27709
Emailfennell@rti.org
Phone919-485-2781
Submit Date2017-01-05
Raw Data AvailableYes
Raw Data File Type(s)fid
Chear StudyYes
Analysis Type DetailNMR
Release Date2024-12-31
Release Version1
Timothy Fennell Timothy Fennell
https://dx.doi.org/10.21228/M84606
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000394
Project DOI:doi: 10.21228/M84606
Project Title:CHEAR Urine Reference Material Proficiency Test NMR
Project Type:CHEAR-UT-1
Project Summary:CHEAR Reference Material Urine was provided by Emory University. The material was prepared and analyzed using the NMR metabolomics workflow of the Eastern Regional Metabolomics Resource Core. Data of six samples were acquired of the sample reference material prepared in replicate.
Institute:RTI International
Department:Discovery-Science-Technology
Laboratory:RTI CHEAR Analytical Hub - Untargeted Analysis Resource Core
Last Name:Fennell
First Name:Timothy
Address:3040 E Cornwallis Road, Research Triangle Park, NC 27709
Email:fennell@rti.org
Phone:919-485-2781

Subject:

Subject ID:SU000557
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
SA027921U_6Replicate
SA027922U_5Replicate
SA027923U_4Replicate
SA027924U_2Replicate
SA027925U_3Replicate
SA027926U_1Replicate
Showing results 1 to 6 of 6

Collection:

Collection ID:CO000551
Collection Summary:CHEAR Reference Material Urine was provided by Emory University.
Sample Type:Urine

Treatment:

Treatment ID:TR000571
Treatment Summary:None

Sample Preparation:

Sampleprep ID:SP000564
Sampleprep Summary:A total of 6 CHEAR Urine Reference Material aliquots were thawed on ice for sample preparation, 400uL of the thawed urine sample were transferred to labeled tubes on ice where they were mixed with 300uL of NMR Master Mix solution containing Chenomx ISTD: DSS-d6 and D2O-Phosphate Buffer at 7.4 pH. Sample tubes were vortexed for 2 min on a multi-tube vortexer and centrifuged at 16,000 rcf for 5 min. A 600uL of each sample supernatant was transferred into a pre-labeled 5mm 4 NMR tubes for data acquisition on a 700 MHz spectrometer.

Analysis:

Analysis ID:AN000814
Laboratory Name:David H. Murdock Research Institute
Analysis Type:NMR
Software Version:TopSpin 3.2
Operator Name:Jason Winnike
Detector Type:NMR
Num Factors:1
Num Metabolites:60
Units:uM

NMR:

NMR ID:NM000095
Analysis ID:AN000814
Instrument Name:Bruker
Instrument Type:FT-NMR
NMR Experiment Type:1D 1H
Field Frequency Lock:Deuterium
Spectrometer Frequency:700 MHz
NMR Probe:5mm ATMA Cryoprobe
NMR Solvent:D
NMR Tube Size:5
Shimming Method:Topshim
Pulse Sequence:noesypr1d
Water Suppression:yes
Pulse Width:13.0s
Power Level:25.119W
Receiver Gain:4.5
Offset Frequency:3296
Chemical Shift Ref Cpd:DSS
Temperature:300K
Number Of Scans:64
Dummy Scans:4
Acquisition Time:3.9s
Relaxation Delay:2s
Spectral Width:12.02ppm
Num Data Points Acquired:65536
Real Data Points:32768
Line Broadening:0.5Hz
Zero Filling:yes
Apodization:Lorentzian
Baseline Correction Method:polynomial
Chemical Shift Ref Std:DSS-d6
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