Summary of Study ST000892
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 PR000621. The data can be accessed directly via it's Project DOI: 10.21228/M8D97C This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST000892 |
| Study Title | Comparison of T2 filters for quantification of small molecules in plasma by 1D NMR |
| Study Type | NMR development for metabolomics |
| Study Summary | A pooled plasma sample obtained from Red Cross has been seperated into 20 samples. 10 of them were simply mixed with a D2O phosphate buffer, while the other 10 were centrifuged first, then dried and resuspended in a 90/10 H2O/D2O phosphate buffer. The 20 NMR samples were analysed by NMR (4 spectra per sample, but different pulse sequences and parameters were used for each group). Standard addition was used in order to measure the concentration of 5 metabolites: valine, lactate, glucose, phenylalanine and formate. |
| Institute | University of Georgia |
| Department | Complex Carbohydrate 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 | 2 |
| Total Subjects | 20 |
| 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: | PR000621 |
| Project DOI: | doi: 10.21228/M8D97C |
| Project Title: | Optimization of quantification of small molecules in intact plasma by 1D NMR |
| Project Type: | NMR pulse sequence comparison with biological samples |
| Project Summary: | Two pulse sequences, CPMG and PROJECT, were tested to see their efficiency for quantification, along as the difference between intact plasma and extracted plasma. In total, 8 sets of experiments were used for quantification, 4 for the intact plasma and 4 for the extracted plasma. Standard addition was used to measure the concentrations in each case. |
| Institute: | University of Georgia |
| Department: | Complex Carbohydrates 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: | SU000929 |
| 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 | Sample type |
|---|---|---|
| SA052557 | EXPL5 | Extracted plasma |
| SA052558 | EXPL9 | Extracted plasma |
| SA052559 | EXPL6 | Extracted plasma |
| SA052560 | EXPL8 | Extracted plasma |
| SA052561 | EXPL2 | Extracted plasma |
| SA052562 | EXPL3 | Extracted plasma |
| SA052563 | EXPL11 | Extracted plasma |
| SA052564 | EXPL10 | Extracted plasma |
| SA052565 | EXPL1 | Extracted plasma |
| SA052566 | EXPL4 | Extracted plasma |
| SA052567 | EXPL7 | Extracted plasma |
| SA052568 | PL12 | Intact plasma |
| SA052569 | PL15 | Intact plasma |
| SA052570 | PL16 | Intact plasma |
| SA052571 | PL19 | Intact plasma |
| SA052572 | PL18 | Intact plasma |
| SA052573 | PL20 | Intact plasma |
| SA052574 | PL11 | Intact plasma |
| SA052575 | PL17 | Intact plasma |
| SA052576 | PL13 | Intact plasma |
| SA052577 | PL14 | Intact plasma |
| Showing results 1 to 21 of 21 |
Collection:
| Collection ID: | CO000923 |
| Collection Summary: | Not available |
| Sample Type: | Blood |
Treatment:
| Treatment ID: | TR000943 |
| Treatment Summary: | Not available |
Sample Preparation:
| Sampleprep ID: | SP000936 |
| Sampleprep Summary: | Mixing 540 μL of urine with 60 μL D2O potassium buffer + DSS |
| Extract Storage: | -80 C |
Analysis:
| Analysis ID: | AN001454 |
| Analysis Type: | NMR |
| Acquisition Date: | between 8/21/16 and 8/23/16 | between 8/21/16 and 8/23/17 | between 8/21/16 and 8/23/18 | between 8/21/16 and 8/23/19 | between 8/21/16 and 8/23/20 | between 8/21/16 and 8/23/21 | between 8/21/16 and 8/23/22 | between 8/21/16 and 8/23/23 |
| Acquisition Parameters File: | plasma-paper-160821/CPMG-1 plasma-paper-160822/CPMG-1 and plasma-paper-160823/CPMG-1 plasma-paper-160821/CPMG-2 plasma-paper-160822/CPMG-2 and plasma-paper-160823/CPMG-2 plasma-paper-160821/CPMG-3 plasma-paper-160822/CPMG-3 and plasma-paper-160823/CPMG-3 plasma-paper-160821/PROJECT-1 plasma-paper-160822/PROJECT-1 and plasma-paper-160826/PROJECT-1 plasma-paper-160821/NOESYPR1D plasma-paper-160822/NOESYPR1D and plasma-paper-160828/NOESYPR1D plasma-paper-160821/PURGE plasma-paper-160822/PURGE and plasma-paper-160828/PURGE plasma-paper-160821/CPMG-4 plasma-paper-160822/CPMG-4 and plasma-paper-160823/CPMG-4 plasma-paper-160821/PROJECT-2 plasma-paper-160822/PROJECT-2 and plasma-paper-160826/PROJECT-2 |
| Num Factors: | 2 |
| Num Metabolites: | 71 |
| Units: | µM |
NMR:
| NMR ID: | NM000110 |
| Analysis ID: | AN001454 |
| Instrument Name: | FT NMR |
| Instrument Type: | FT-NMR |
| NMR Experiment Type: | 1D 1H |
| NMR Comments: | For intact plasma | For intact plasma | For intact plasma | For intact plasma | For extracted plasma | For extracted plasma | For extracted plasma | For extracted plasma |
| Field Frequency Lock: | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz |
| Spectrometer Frequency: | 600 MHz |
| NMR Solvent: | H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | D2O phosphate buffer | D2O phosphate buffer | D2O phosphate buffer | D2O phosphate buffer |
| NMR Tube Size: | 5 mm |
| Shimming Method: | Topshim | Topshim | Topshim | Topshim | Topshim | Topshim | Topshim | Topshim Pulse Sequence | cpmgpr1d | cpmgpr1d | cpmgpr1d | PROJECTpr1d-1 | noesypr1d | zgpurge-gprefocus-2 | cpmgpr1d | PROJECTpr1d-1 |
| Water Suppression: | Presaturation |
| Pulse Width: | 19.94 μs | 19.94 μs | 19.94 μs | 19.94 μs | 11.82 μs | 11.82 μs | 11.82 μs | 11.82 μs |
| Power Level: | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W |
| Receiver Gain: | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 |
| Offset Frequency: | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz |
| Presaturation Power Level: | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 |
| Chemical Shift Ref Cpd: | DSS | DSS | DSS | DSS | DSS | DSS | DSS | DSS |
| Temperature: | 310 K | 311 K | 312 K | 313 K | 314 K | 315 K | 316 K | 317 K |
| Number Of Scans: | 32 | 32 | 32 | 32 | 32 | 32 | 32 | 32 |
| Dummy Scans: | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 |
| Acquisition Time: | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 |
| Relaxation Delay: | 4 s | 4 s | 4 s | 4 s | 5 s | 6 s | 7 s | 8 s |
| Spectral Width: | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm |
| Num Data Points Acquired: | 73728 | 73728 | 73728 | 73728 | 73728 | 73728 | 73728 | 73728 |
| Real Data Points: | 36864 | 36864 | 36864 | 36864 | 36864 | 36864 | 36864 | 36864 |
| Line Broadening: | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz |
| Zero Filling: | 65536 | 65536 | 65536 | 65536 | 65536 | 65536 | 65536 | 65536 |
| Apodization: | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian |
| Baseline Correction Method: | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 |
| Chemical Shift Ref Std: | DSS | DSS | DSS | DSS | DSS | DSS | DSS | DSS |
