Summary of Study ST000538
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.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
Study ID | ST000538 |
Study Title | CHEAR Urine Reference Material Proficiency Test NMR (Part II) |
Study Type | Metabolomics |
Study 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 | Analytical Chemistry & Pharmaceuticals |
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 |
fennell@rti.org | |
Phone | 919-485-2781 |
Submit Date | 2017-01-19 |
Raw Data Available | Yes |
Raw Data File Type(s) | fid |
Chear Study | Yes |
Analysis Type Detail | NMR |
Release Date | 2024-12-31 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
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: | SU000560 |
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 |
---|---|---|
SA027939 | U_6 | Replicate |
SA027940 | U_5 | Replicate |
SA027941 | U_4 | Replicate |
SA027942 | U_2 | Replicate |
SA027943 | U_3 | Replicate |
SA027944 | U_1 | Replicate |
Showing results 1 to 6 of 6 |
Collection:
Collection ID: | CO000554 |
Collection Summary: | CHEAR Reference Material Urine was provided by Emory University. |
Sample Type: | Urine |
Treatment:
Treatment ID: | TR000574 |
Treatment Summary: | None |
Sample Preparation:
Sampleprep ID: | SP000567 |
Sampleprep Summary: | A total of 6 CHEAR Urine Reference Material aliquots were thawed on ice for sample preparation, 400 L of the thawed urine sample were transferred to labeled tubes on ice where they were mixed with 300 L 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 600 L 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: | AN000817 |
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: | 51 |
Units: | uM |
NMR:
NMR ID: | NM000098 |
Analysis ID: | AN000817 |
Instrument Name: | Bruker |
Instrument Type: | FT-NMR |
NMR Experiment Type: | 1D 1H |
Field Frequency Lock: | Deuterium |
Standard Concentration: | 0.5mM |
Spectrometer Frequency: | 700 MHz |
NMR Probe: | 5mm ATMA Cryoprobe |
NMR Solvent: | D2O |
NMR Tube Size: | 5mm |
Shimming Method: | top shim |
Pulse Sequence: | noesypr1d |
Water Suppression: | yes |
Pulse Width: | 13.0us |
Power Level: | 25.119 W |
Receiver Gain: | 4.5 |
Offset Frequency: | 3296 Hz |
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: | 0.5 Hz |
Zero Filling: | yes |
Apodization: | Lorentzian |
Baseline Correction Method: | Polynomial |
Chemical Shift Ref Std: | DSS-d6 |