Summary of Study ST000891
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 PR000620. The data can be accessed directly via it's Project DOI: 10.21228/M8J098 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST000891 |
| Study Title | NMR comparison of urine samples by 1D NOESY presat and PURGE |
| Study Type | NMR development for metabolomics |
| Study Summary | Different water suppression pulse sequences, namely 1D NOESY presat and optimized PURGE were compared for urine samples. The original PURGE sequence was also tested to show the postential for lineshape distortions with the pulse sequence. |
| Institute | University of Georgia |
| Department | Complex Carbohydrate Research Center |
| Laboratory | Complex Carbohydrates Research Center |
| Last Name | Edison |
| First Name | Arthur |
| Address | 315 Riverbend Road 30602 Athens GA |
| aedison@uga.edu | |
| Phone | +1-706-542-8156 |
| Submit Date | 2017-09-01 |
| Num Groups | 1 |
| Total Subjects | 10 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | fid |
| Analysis Type Detail | NMR |
| Release Date | 2017-11-15 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR000620 |
| Project DOI: | doi: 10.21228/M8J098 |
| Project Title: | Comparison of 1d NOESY presat and optimized PURGE for urine analysis |
| Project Type: | NMR pulse sequence comparison with biological samples |
| Project Summary: | The pulse sequence commonly used for NMR metabolomics, 1D NOESY presat, and an optimized PURGE pulse sequence, are compared with 10 urine samples.These 10 urine samples came from quality control pooled Mormon women urine (OH2050F) and were frozed at -80°C before analysis. All 10 samples were technical replicate, coming from the same pool and sumitted to the same treatment before NMR analysis. |
| Institute: | University of Georgia |
| Department: | Complex Carbohydrate Research Center |
| Laboratory: | Complex Carbohydrates Research Center |
| Last Name: | Edison |
| First Name: | Arthur |
| Address: | 315 Riverbend Road 30602 Athens GA |
| Email: | aedison@uga.edu |
| Phone: | +1-706-542-8156 |
Subject:
| Subject ID: | SU000928 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Species Group: | Human |
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | SampleType |
|---|---|---|
| SA052547 | UR48 | Urine |
| SA052548 | UR49 | Urine |
| SA052549 | UR50 | Urine |
| SA052550 | UR47 | Urine |
| SA052551 | UR46 | Urine |
| SA052552 | UR42 | Urine |
| SA052553 | UR43 | Urine |
| SA052554 | UR44 | Urine |
| SA052555 | UR45 | Urine |
| SA052556 | UR41 | Urine |
| Showing results 1 to 10 of 10 |
Collection:
| Collection ID: | CO000922 |
| Collection Summary: | N/A |
| Sample Type: | Urine |
Treatment:
| Treatment ID: | TR000942 |
| Treatment Summary: | N/A |
Sample Preparation:
| Sampleprep ID: | SP000935 |
| Sampleprep Summary: | Mixing 540 μL of urine with 60 μL D2O potassium buffer + DSS |
| Extract Storage: | -80 C |
Analysis:
| Analysis ID: | AN001453 |
| Analysis Type: | NMR |
| Acquisition Date: | 9/6/2016 | 9/6/2016 | 9/6/2016 | 9/6/2016 |
| Acquisition Parameters File: | urine-paper-160923/NOESYPR1D urine-paper-160923/PURGE_OPTIMIZED urine-paper-160923/NOESYGPPR1D urine-paper-160923/PURGE Raw File(s) (filename or directory) urine-paper-160923/NOESYPR1D urine-paper-160923/PURGE_OPTIMIZED urine-paper-160923/NOESYGPPR1D urine-paper-160923/PURGE |
| Software Version: | Topspin 3.5 pl 5 |
| Num Factors: | 1 |
NMR:
| NMR ID: | NM000109 |
| Analysis ID: | AN001453 |
| Instrument Name: | Bruker Avance III |
| Instrument Type: | FT-NMR |
| NMR Experiment Type: | 1D 1H |
| NMR Comments: | 4 spectra per sample: the first is the noesypr1d, then an optimized version of PURGE, then noesygppr1d, and finally the original PURGE (called zgpurge by Bruker) |
| Field Frequency Lock: | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz |
| Spectrometer Frequency: | 600 MHz |
| NMR Probe: | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D |
| NMR Solvent: | H2O+D2O (90/10) potassium buffer | H2O+D2O (90/10) potassium buffer | H2O+D2O (90/10) potassium buffer | H2O+D2O (90/10) potassium buffer |
| NMR Tube Size: | 5 mm | 5 mm | 5 mm | 5 mm |
| Shimming Method: | Topshim | Topshim | Topshim | Topshim |
| Pulse Sequence: | noesypr1d | zgpurge-gprefocus-4 | noesygppr1d | zgpurge |
| Water Suppression: | Presaturation | Presaturation | Presaturation | Presaturation |
| Pulse Width: | 19.94 μL | 19.94 μL | 19.94 μL | 19.94 μL |
| Power Level: | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W |
| Receiver Gain: | 90.5 | 90.5 | 90.5 | 90.5 |
| Offset Frequency: | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz |
| Presaturation Power Level: | 0.000088411 W | 0.000088411 W | 0.000088411 W | 0.000088411 W |
| Chemical Shift Ref Cpd: | TSP | TSP | TSP | TSP |
| Temperature: | 300 K | 300 K | 300 K | 300 K |
| Number Of Scans: | 32 | 32 | 32 | 32 |
| Dummy Scans: | 4 | 4 | 4 | 4 |
| Acquisition Time: | 2.726 | 2.726 | 2.726 | 2.726 |
| Relaxation Delay: | 4 s | 4 s | 4 s | 4 s |
| Spectral Width: | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm |
| Num Data Points Acquired: | 65536 | 65536 | 65536 | 65536 |
| Real Data Points: | 32768 | 32768 | 32768 | 32768 |
| Line Broadening: | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz |
| Zero Filling: | 131072 | 131072 | 131072 | 131072 |
| Apodization: | Gaussian | Gaussian | Gaussian | Gaussian |
| Baseline Correction Method: | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 |
| Chemical Shift Ref Std: | DSS | DSS | DSS | DSS |
