Summary of Study ST000544
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 PR000398. The data can be accessed directly via it's Project DOI: 10.21228/M8M89N This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
Study ID | ST000544 |
Study Title | CHEAR Urine Reference Material Proficiency Test Biocrates |
Study Type | Metabolomics |
Study Summary | CHEAR Reference Material Urine. The material was prepared and analyzed by way of LC-MS and Biocrates workflow employed by the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). Six samples were injected of the sample reference material prepared in replicate. |
Institute | RTI International |
Department | Discovery-Sciences-Technology (DST) |
Laboratory | RTI CHEAR Analytical Hub - Untargeted Analysis Resource Core |
Last Name | Fennell |
First Name | Timothy |
Address | 3040 E Cornwallis Road, Research Triangle Park, NC |
fennell@rti.org | |
Phone | 919-485-2781 |
Submit Date | 2016-12-29 |
Raw Data Available | Yes |
Raw Data File Type(s) | wiff |
Chear Study | Yes |
Analysis Type Detail | LC-MS |
Release Date | 2024-12-31 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
Project ID: | PR000398 |
Project DOI: | doi: 10.21228/M8M89N |
Project Title: | CHEAR Urine Reference Material Proficiency Testing Biocrates |
Project Type: | CHEAR-UT-1 |
Project Summary: | CHEAR Reference Material Urine. The material was prepared and analyzed by way of LC-MS and Biocrates workflow employed by the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). Six samples were injected 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: | SU000566 |
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 |
---|---|---|
SA028107 | p180 Cal5 | Control |
SA028108 | p180 Cal4 | Control |
SA028109 | p180 Cal3 | Control |
SA028110 | p180 Cal6 | Control |
SA028111 | p180 QC1 | Control |
SA028112 | p180 QC3 | Control |
SA028113 | p180 QC2 | Control |
SA028114 | p180 Cal2 | Control |
SA028115 | p180 Cal7 | Control |
SA028116 | p180 Cal1 | Control |
SA028117 | PBS_01 | Control |
SA028118 | PBS_02 | Control |
SA028119 | PBS_03 | Control |
SA028120 | UP_A_03_3 | Replicate |
SA028121 | UP_A_03_2 | Replicate |
SA028122 | UP_A_03_4 | Replicate |
SA028123 | UP_A_03_6 | Replicate |
SA028124 | UP_A_03_1 | Replicate |
SA028125 | UP_A_03_5 | Replicate |
Showing results 1 to 19 of 19 |
Collection:
Collection ID: | CO000560 |
Collection Summary: | CHEAR Reference Material Urine |
Sample Type: | Urine |
Treatment:
Treatment ID: | TR000580 |
Treatment Summary: | No treatment. |
Sample Preparation:
Sampleprep ID: | SP000573 |
Sampleprep Summary: | Urine: Parent and Sub-Aliquots Removed bulk urine from -80°C storage and thawed urine by storing it at 4°C overnight. The following day, the thawed urine was inspected to ensure there was no ice remaining and the bulk urine was then mixed in the 4°C room by repeatedly inverting the container. Parent Aliquots were quickly prepared in the 4°C room using the Drummond pipet aid and serological pipet. 42 mL urine were transferred to 50 mL tubes in 4°C room and capped immediately and placed on ice. If needed, the bulk urine was mixed in between aliquots. The parent aliquots were labeled appropriately. Sub-Aliquots were prepared on ice at the bench. The parent aliquots were mixed by inverting the tube thoroughly before and in between aliquots as needed. 2.5 mL urine was transferred to 5 mL cryovials and capped immediately and stored on ice until sample splitting was competed. The sub aliquots were labeled appropriately. Sub-aliquots were stored at -80°C. Urine Aliquots for LCMS platforms: Used sub-aliquot “UP_A_03” to prepare aliquots for various LCMS platforms. Allowed sub-aliquot to thaw on ice for 30 – 60 min. Vortexed aliquot briefly on vortexer, centrifuged at 4 °C for 2 minutes at 16,000 rcf. Aliquoted out 6 tubes for Biocrates (30 µL each) from “UP_A_03”. Aliquots were stored at -80 °C until analysis. Sample preparation for Biocrates Plate: CHEAR urine samples were thawed on ice for 30–60 min. All samples were vortexed on a multi-tube vortexer for 4 mins at 5,000 rpm and centrifuged at 4 °C for 5 minutes at 16,000 rcf before loading on the p180 plate. The samples were then placed on ice in the analysis order for sample loading on the p180 Biocrates plate. |
Combined analysis:
Analysis ID | AN000826 | AN000827 | AN000828 |
---|---|---|---|
Analysis type | MS | MS | MS |
Chromatography type | Reversed phase | Flow induction analysis | Flow induction analysis |
Chromatography system | |||
Column | Agilent Eclipse XDB-C18 (100 x 3.0mm,3.5um) | No column | No column |
MS Type | ESI | ESI | ESI |
MS instrument type | Triple quadrupole | Triple quadrupole | Triple quadrupole |
MS instrument name | ABI Sciex 4000 QTrap | ABI Sciex 4000 QTrap | ABI Sciex 4000 QTrap |
Ion Mode | POSITIVE | POSITIVE | NEGATIVE |
Units | uM | uM | uM |
Chromatography:
Chromatography ID: | CH000590 |
Column Name: | Agilent Eclipse XDB-C18 (100 x 3.0mm,3.5um) |
Column Pressure: | 30-120 bar |
Column Temperature: | 50 degrees C |
Flow Rate: | 0.5mL/min |
Sample Injection: | 10uL |
Solvent A: | 100% water; 0.2% formic acid |
Solvent B: | 100% acetonitrile; 0.2% formic acid |
Analytical Time: | 9.5 minutes |
Target Sample Temperature: | 10 degrees C |
Sample Loop Size: | 100uL |
Chromatography Type: | Reversed phase |
Chromatography ID: | CH000591 |
Column Name: | No column |
Column Pressure: | 4-50 bar |
Sample Injection: | 20uL |
Solvent B: | 100% methanol |
Analytical Time: | 3.0 minutes |
Target Sample Temperature: | 10 degrees C |
Sample Loop Size: | 100uL |
Chromatography Type: | Flow induction analysis |
Chromatography ID: | CH000592 |
Column Name: | No column |
Column Pressure: | 4-50 bar |
Sample Injection: | 20uL |
Solvent B: | 100% methanol |
Analytical Time: | 3.0 minutes |
Target Sample Temperature: | 10 degrees C |
Sample Loop Size: | 100uL |
Chromatography Type: | Flow induction analysis |
MS:
MS ID: | MS000727 |
Analysis ID: | AN000826 |
Instrument Name: | ABI Sciex 4000 QTrap |
Instrument Type: | Triple quadrupole |
MS Type: | ESI |
Ion Mode: | POSITIVE |
Collision Gas: | Medium |
Ion Source Temperature: | 500 degrees C |
Ion Spray Voltage: | 5500 |
MS ID: | MS000728 |
Analysis ID: | AN000827 |
Instrument Name: | ABI Sciex 4000 QTrap |
Instrument Type: | Triple quadrupole |
MS Type: | ESI |
Ion Mode: | POSITIVE |
Collision Gas: | Medium |
Ion Source Temperature: | 500 degrees C |
Ion Spray Voltage: | 5500 |
MS ID: | MS000729 |
Analysis ID: | AN000828 |
Instrument Name: | ABI Sciex 4000 QTrap |
Instrument Type: | Triple quadrupole |
MS Type: | ESI |
Ion Mode: | NEGATIVE |
Collision Gas: | Medium |
Ion Source Temperature: | 500 degrees C |
Ion Spray Voltage: | -4500 |