Summary of Study ST003104
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 PR001927. The data can be accessed directly via it's Project DOI: 10.21228/M8N42X 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 | ST003104 |
| Study Title | Metabolomics studies on human cardiac samples |
| Study Summary | Targeted metabolomics was performed to measure polar metabolites in both positive and negative ionization mode on left ventricular tissue acquired from pre-mortem healthy donor hearts as classified by formal pathological examination and stored at the Sydney Heart Bank. The minimum number of observations for young (age ≤ 25 years) and old (age ≥ 50 years) cohorts using liquid chromatography-tandem mass spectrometry (LC-MS/MS). |
| Institute | University of Sydney |
| Department | Medicine and Health |
| Last Name | Koay |
| First Name | Yen Chin |
| Address | Charles Perkin Centre |
| yen.koay@sydney.edu.au | |
| Phone | +61486275851 |
| Submit Date | 2023-09-10 |
| Num Groups | 2 |
| Total Subjects | 25 |
| Num Males | 15 |
| Num Females | 10 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | API |
| Release Date | 2024-03-11 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN005082 | AN005083 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | HILIC | HILIC |
| Chromatography system | Agilent 1260 | Agilent 1260 |
| Column | Waters Atlantis T3 (150 x 4.6mm,5um) | Waters XBridge BEH Amide (100 x 2.1mm,2.5um) |
| MS Type | API | API |
| MS instrument type | Triple quadrupole | Triple quadrupole |
| MS instrument name | ABI Sciex 5500 QTrap | ABI Sciex 5500 QTrap |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | abundance | abundance |
Chromatography:
| Chromatography ID: | CH003839 |
| Chromatography Summary: | Chromatographic method to detect analytes such as amino acids, endocannabinoids, fatty acid β-oxidation intermediates, gut-derived metabolites, nucleotides, neurotransmitters, cofactors and vitamins. |
| Instrument Name: | Agilent 1260 |
| Column Name: | Waters Atlantis T3 (150 x 4.6mm,5um) |
| Column Temperature: | 40 |
| Flow Gradient: | The LC gradient program begins with an initial condition of 5% solvent A and 95% solvent B, with a flow rate of 0.25 mL/min, which is held for 0.5 minutes to establish system equilibration. The gradient then proceeds as follows: at 6 minutes, the mobile phase composition shifts to 60% solvent A and 40% solvent B for 3minutes; at 10 minutes, it changes back to 5% solvent A and 95% solvent B; at 11 minutes, the flow rate increases to 0.4 mL/min while maintaining a composition of 5% solvent A and 95% solvent B for a duration of 12.5 minutes; and at 24.5 minutes, the flow rate decreases back to 0.25 mL/min. The final condition is maintained for 1 minutes to ensure stability before subsequent analyses. |
| Flow Rate: | 0.250 – 0.400 mL/min |
| Solvent A: | 100% water; 0.1% formic acid; 10 mM ammonium formate (pH ~2.5) |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH003840 |
| Chromatography Summary: | Chromatographic method to detect analytes including amino acids, nucleotides, nucleosides, nucleotide triphosphates, high energy intermediates, organic acids, TCA cycle intermediates, bile acids and vitamins. |
| Instrument Name: | Agilent 1260 |
| Column Name: | Waters XBridge BEH Amide (100 x 2.1mm,2.5um) |
| Column Temperature: | 40 |
| Flow Gradient: | The LC gradient program is initialized with an initial mobile phase composition of 15% solvent A and 85% solvent B at a flow rate of 0.25 mL/min. Over the course of 8 minutes, the mobile phase composition undergoes a transition to 65% solvent A and 35% solvent B. Subsequently, at 8 minutes, the composition shifts to 98% solvent A and 2% solvent B, maintained for 1 minute. The mobile phase reverts back to the initial composition of 15% solvent A and 85% solvent B at 10 minutes. At 12.5 minutes, the flow rate is increased to 0.5 mL/min, while maintaining a constant mobile phase composition of 15% solvent A and 85% solvent B for a period of 2.5 minutes. Finally, at 15 minutes, the flow rate is reduced back to 0.25 mL/min. To ensure system stability, the final condition is maintained for 1 minute prior to subsequent analyses. |
| Flow Rate: | 0.250 – 0.400 mL/min |
| Solvent A: | 95% acetonitrile/5%; water 20mM ammonium acetate; 20mM ammonium hydroxide (pH 9.0) |
| Solvent B: | 100% acetonitrile |
| Chromatography Type: | HILIC |
