Summary of Study ST001926
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 PR001216. The data can be accessed directly via it's Project DOI: 10.21228/M8J11K 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 | ST001926 |
| Study Title | Modular evolution of the Drosophila metabolome |
| Study Summary | In this study, we look at both targeted and untargeted metabolomic data from both sexes and 11 species of Drosophila. For the targeted analysis, we also looked at two ages to understand conserved changes with age in the Drosophila genus. |
| Institute | University of Washington |
| Last Name | Promislow |
| First Name | Daniel |
| Address | 1959 NE Pacific Street, Seattle, Washington, 98195, USA |
| promislo@uw.edu | |
| Phone | 206-616-6994 |
| Submit Date | 2021-09-01 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML |
| Analysis Type Detail | LC-MS |
| Release Date | 2022-02-02 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003130 | AN003131 | AN003132 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | HILIC | HILIC | HILIC |
| Chromatography system | Agilent 1260 | Agilent 1260 | Agilent 1260 |
| Column | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | Other | QTOF | QTOF |
| MS instrument name | ABI Sciex 5500 QTrap | Agilent 6520 QTOF | Agilent 6520 QTOF |
| Ion Mode | UNSPECIFIED | POSITIVE | NEGATIVE |
| Units | Peak counts | Peak counts |
Chromatography:
| Chromatography ID: | CH002312 |
| Chromatography Summary: | Targeted LC/MS-MS 1st column. LC-MS/MS experiments were performed on an Agilent 1260 LC (Agilent Technologies, Santa Clara, CA)-AB Sciex QTrap 5500 mass spectrometer (AB Sciex, Toronto, ON, Canada) system at the University of Washington Northwest Metabolomics Research Center (UWNMRC). Each sample was injected twice, 10 µL for analysis using negative ionization mode and 2 µL for analysis using positive ionization mode. Both chromatographic separations were performed in hydrophilic interaction chromatography (HILIC) mode on two Waters XBridge BEH Amide columns (150 x 2.1 mm, 2.5 µm particle size, Waters Corporation, Milford, MA) connected in parallel. The flow rate was 0.300 mL/min, auto-sampler temperature was kept at 4 °C, and the column compartment was set at 40 °C. The mobile phase was composed of Solvents A (5 mM ammonium acetate in 90%H2O/ 10% acetonitrile + 0.2% acetic acid) and B (5 mM ammonium acetate in 90%acetonitrile/ 10% H2O + 0.2% acetic acid). After the initial 2 min isocratic elution of 90% B, the percentage of Solvent B decreased to 50% at t=5 min. The composition of Solvent B maintained at 50% for 4 min (t=9 min), and then the percentage of B gradually went back to 90%, to prepare for the next injection. Targeted data acquisition was performed in multiple-reaction-monitoring (MRM) mode. The LC-MS system was controlled by Analyst 1.5 software (AB Sciex). The extracted MRM peaks were integrated using MultiQuant 2.1 software (AB Sciex). Samples were spiked with 13C internal standards, and two types of LC-MS/MS quality control (QC) samples were run at 11 evenly-spaced intervals throughout the run to track potential drift in the assay. One QC sample was a pool of 10 fly samples, and the other was a sample of human serum. The CV for these QCs was 8.2% and 7.7% respectively |
| Instrument Name: | Agilent 1260 |
| Column Name: | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) |
| Column Temperature: | 40 |
| Flow Rate: | 0.300 mL/min |
| Internal Standard: | 13C |
| Solvent A: | 90% water/10% acetonitrile; 0.2% acetic acid; 5 mM ammonium acetate |
| Solvent B: | 90% acetonitrile/ 10% water; 0.2% acetic acid; 5 mM ammonium acetate |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH002313 |
| Chromatography Summary: | Targeted LC/MS-MS 1st column. LC-MS/MS experiments were performed on an Agilent 1260 LC (Agilent Technologies, Santa Clara, CA)-AB Sciex QTrap 5500 mass spectrometer (AB Sciex, Toronto, ON, Canada) system at the University of Washington Northwest Metabolomics Research Center (UWNMRC). Each sample was injected twice, 10 µL for analysis using negative ionization mode and 2 µL for analysis using positive ionization mode. Both chromatographic separations were performed in hydrophilic interaction chromatography (HILIC) mode on two Waters XBridge BEH Amide columns (150 x 2.1 mm, 2.5 µm particle size, Waters Corporation, Milford, MA) connected in parallel. The flow rate was 0.300 mL/min, auto-sampler temperature was kept at 4 °C, and the column compartment was set at 40 °C. The mobile phase was composed of Solvents A (5 mM ammonium acetate in 90%H2O/ 10% acetonitrile + 0.2% acetic acid) and B (5 mM ammonium acetate in 90%acetonitrile/ 10% H2O + 0.2% acetic acid). After the initial 2 min isocratic elution of 90% B, the percentage of Solvent B decreased to 50% at t=5 min. The composition of Solvent B maintained at 50% for 4 min (t=9 min), and then the percentage of B gradually went back to 90%, to prepare for the next injection. Targeted data acquisition was performed in multiple-reaction-monitoring (MRM) mode. The LC-MS system was controlled by Analyst 1.5 software (AB Sciex). The extracted MRM peaks were integrated using MultiQuant 2.1 software (AB Sciex). Samples were spiked with 13C internal standards, and two types of LC-MS/MS quality control (QC) samples were run at 11 evenly-spaced intervals throughout the run to track potential drift in the assay. One QC sample was a pool of 10 fly samples, and the other was a sample of human serum. The CV for these QCs was 8.2% and 7.7% respectively |
| Instrument Name: | Agilent 1260 |
| Column Name: | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) |
| Column Temperature: | 40 |
| Flow Rate: | 0.300 mL/min |
| Internal Standard: | 13C |
| Solvent A: | 90% water/10% acetonitrile; 0.2% acetic acid; 5 mM ammonium acetate |
| Solvent B: | 90% acetonitrile/ 10% water; 0.2% acetic acid; 5 mM ammonium acetate |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH002314 |
| Chromatography Summary: | Targeted LC/MS-MS 1st column. LC-MS/MS experiments were performed on an Agilent 1260 LC (Agilent Technologies, Santa Clara, CA)-AB Sciex QTrap 5500 mass spectrometer (AB Sciex, Toronto, ON, Canada) system at the University of Washington Northwest Metabolomics Research Center (UWNMRC). Each sample was injected twice, 10 µL for analysis using negative ionization mode and 2 µL for analysis using positive ionization mode. Both chromatographic separations were performed in hydrophilic interaction chromatography (HILIC) mode on two Waters XBridge BEH Amide columns (150 x 2.1 mm, 2.5 µm particle size, Waters Corporation, Milford, MA) connected in parallel. The flow rate was 0.300 mL/min, auto-sampler temperature was kept at 4 °C, and the column compartment was set at 40 °C. The mobile phase was composed of Solvents A (5 mM ammonium acetate in 90%H2O/ 10% acetonitrile + 0.2% acetic acid) and B (5 mM ammonium acetate in 90%acetonitrile/ 10% H2O + 0.2% acetic acid). After the initial 2 min isocratic elution of 90% B, the percentage of Solvent B decreased to 50% at t=5 min. The composition of Solvent B maintained at 50% for 4 min (t=9 min), and then the percentage of B gradually went back to 90%, to prepare for the next injection. Targeted data acquisition was performed in multiple-reaction-monitoring (MRM) mode. The LC-MS system was controlled by Analyst 1.5 software (AB Sciex). The extracted MRM peaks were integrated using MultiQuant 2.1 software (AB Sciex). Samples were spiked with 13C internal standards, and two types of LC-MS/MS quality control (QC) samples were run at 11 evenly-spaced intervals throughout the run to track potential drift in the assay. One QC sample was a pool of 10 fly samples, and the other was a sample of human serum. The CV for these QCs was 8.2% and 7.7% respectively |
| Instrument Name: | Agilent 1260 |
| Column Name: | Waters Xbridge BEH HILIC (75 x 2.1mm,2.5um) |
| Column Temperature: | 40 |
| Flow Rate: | 0.300 mL/min |
| Internal Standard: | 13C |
| Solvent A: | 90% water/10% acetonitrile; 0.2% acetic acid; 5 mM ammonium acetate |
| Solvent B: | 90% acetonitrile/ 10% water; 0.2% acetic acid; 5 mM ammonium acetate |
| Chromatography Type: | HILIC |
