Summary of Study ST002092
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 PR001328. The data can be accessed directly via it's Project DOI: 10.21228/M82978 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST002092 |
| Study Title | Addressing batch effects in large-scale metabolomics with augmented experimental design and meta-analysis |
| Study Summary | Untargeted LC-MS study conducted using RP and HILIC chromatography on three groups of C. elegans: natural isolates, central metabolism mutants, and UDP-glucuronosyltransferase mutants. An augmented study design, rank transformation of the raw data, strict QA/QC followed by a meta-analysis was used for data analysis. |
| Institute | University of Georgia - Complex Carbohydrate Research Center |
| Laboratory | Edison Lab |
| Last Name | Garcia |
| First Name | Brianna |
| Address | 315 Riverbend Road |
| brianna.garcia@uga.edu | |
| Phone | 7065424401 |
| Submit Date | 2022-02-14 |
| Num Groups | 3 |
| Total Subjects | 119 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2022-04-04 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003416 | AN003417 | AN003418 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | HILIC |
| Chromatography system | Thermo Vanquish | Thermo Vanquish | Thermo Vanquish |
| Column | Thermo Scientific Accucore C30 (150 x 2.1mm,2.6um) | Thermo Scientific Accucore C30 (150 x 2.1mm,2.6um) | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Orbitrap ID-X tribrid | Thermo Orbitrap ID-X tribrid | Thermo Orbitrap ID-X tribrid |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE |
| Units | Ranked Peak Height | Ranked Peak Height | Ranked Peak Height |
Chromatography:
| Chromatography ID: | CH002527 |
| Chromatography Summary: | Non-polar extracts were separated using a Vanquish (ThermoFisher Scientific), fitted with a ThermoFisher Scientific Accucore™ C30 UPLC RP column (2.1 x 150 mm, 2.6 µm particle size). The compounds were eluted with the following gradient: 60:40 acetonitrile:water (ACN:H2O) with 10 mM ammonium formate and 0.1% formic acid (mobile phase A) and 90:10 isopropanol:acetonitrile with 10 mM ammonium formate and 0.1% formic acid (mobile phase B) using the following gradient program: 0.0 min 20% B; 1.0 min 60% B; 5.0 min 70% B; 5.5 min 85% B; 8.0 min 90% B; 8.2-10.5 min 100% B; 10.7-12.0 min 20% B. A curve 5 value was set for 0.0 minutes, and a curve 6 for the remainder of the gradient. The flow rate was set at 0.400 mL min-1. The column temperature was set to 50°C, and the injection volume was 2 µL. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Thermo Scientific Accucore C30 (150 x 2.1mm,2.6um) |
| Column Temperature: | 50 |
| Solvent A: | 40% water/60% acetonitrile; 0.1% formic acid; 10 mM ammonium formate |
| Solvent B: | 90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002528 |
| Chromatography Summary: | Polar extracts were separated using a Vanquish (ThermoFisher Scientific), fitted with a Waters Acquity UPLC BEH Amide column (2.1 x 150 mm, 1.7 µm particle size). The compounds were eluted with the following gradient: 80:20 water:acetonitrile (H2O:ACN) with 10 mM ammonium formate and 0.1% formic acid (mobile phase A) and 100% ACN with 0.1% formic acid (mobile phase B) using the following gradient program: 0.0-0.5 min 95% B; 8.0-9.4 min 40% B; 9.5-11.0 min 95% B. A curve 5 value was set for 0.0 minutes, a curve 6 at 0.5 min, curve 7 at 8.0 min, and a curve 6 for the remainder of the gradient. The flow rate was set at 0.400 mL min-1. The column temperature was set to 40°C, and the injection volume was 2 µL. |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Waters Acquity BEH Amide (150 x 2.1mm,1.7um) |
| Column Temperature: | 40 |
| Solvent A: | 80% water/20% acetonitrile; 0.1% formic acid; 10 mM ammonium formate |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | HILIC |
