Summary of Study ST000533

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 PR000392. The data can be accessed directly via it's Project DOI: 10.21228/M8CP53 This work is supported by NIH grant, U2C- DK119886.

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Study IDST000533
Study TitleCHEAR Plasma Dilution Reference Material Proficiency Test NMR (Part I)
Study TypeMetabolomics
Study SummaryCHEAR Reference Material Plasma was provided by Emory University. The material was prepared and analyzed using the NMR metabolomics workflow of the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). 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/UARC
Last NameFennell
First NameTimothy
Address3040 E Cornwallis Road, Research Triangle Park, NC 27709
Emailfennell@rti.org
Phone919-485-2781
Submit Date2017-01-04
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/M8CP53
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000392
Project DOI:doi: 10.21228/M8CP53
Project Title:CHEAR Plasma Dilution Reference Material Proficiency Test NMR
Project Type:CHEAR-UT-1
Project Summary:CHEAR Reference Material Plasma was provided by Emory University. The material was prepared and analyzed using the NMR metabolomics workflow of the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). 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:SU000555
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
SA027909D_6Replicate
SA027910D_5Replicate
SA027911D_4Replicate
SA027912D_2Replicate
SA027913D_3Replicate
SA027914D_1Replicate
Showing results 1 to 6 of 6

Collection:

Collection ID:CO000549
Collection Summary:CHEAR Reference Material Plasma was provided by Emory University.
Sample Type:Blood

Treatment:

Treatment ID:TR000569
Treatment Summary:None

Sample Preparation:

Sampleprep ID:SP000562
Sampleprep Summary:A total of 6 CHEAR Plasma Reference Material aliquots were thawed on ice for sample preparation, 400 L of the thawed plasma samples were transferred to labeled tubes on ice where they were mixed with 300 L of NMR Master Mix solution containing formate (2.3 mM), 0.9% saline, and 0.02% NaN3 (in D2O). Sample tubes were vortexed for 2 min on a multi-tube vortexer and centrifuged at 16,000 rcf for 5 min. A 600 L of each sample supernatant was transferred into a pre-labeled 5mm NMR tubes for data acquisition on a 700 MHz spectrometer.

Analysis:

Analysis ID:AN000812
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:35
Units:uM

NMR:

NMR ID:NM000093
Analysis ID:AN000812
Instrument Name:Bruker
Instrument Type:FT-NMR
NMR Experiment Type:1D 1H
Field Frequency Lock:Deuterium
Standard Concentration:1mM
Spectrometer Frequency:700 MHz
NMR Probe:5mm ATMA Cryoprobe
NMR Solvent:D2O
NMR Tube Size:5mm
Shimming Method:Topshim
Pulse Sequence:cpmgpr1d
Water Suppression:yes
Pulse Width:12.3us
Power Level:25.119W
Receiver Gain:4
Offset Frequency:3299.00 Hz
Chemical Shift Ref Cpd:Formate
Temperature:300K
Number Of Scans:128
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:Formate
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