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.

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Study IDST001926
Study TitleModular evolution of the Drosophila metabolome
Study SummaryIn 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 NamePromislow
First NameDaniel
Address1959 NE Pacific Street, Seattle, Washington, 98195, USA
Emailpromislo@uw.edu
Phone206-616-6994
Submit Date2021-09-01
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2022-02-02
Release Version1
Daniel Promislow Daniel Promislow
https://dx.doi.org/10.21228/M8J11K
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001216
Project DOI:doi: 10.21228/M8J11K
Project Title:Modular evolution of the Drosophila metabolome
Project Summary:Analyze targeted and untargeted metabolomic profiles of 11 species of Drosophila
Institute:University of Washington
Last Name:Hoffman
First Name:Jessica
Address:1300 University Blvd, CH464
Email:jmhoffm@uab.edu
Phone:6789100585

Subject:

Subject ID:SU002004
Subject Type:Invertebrate
Subject Species:Drosophila melanogaster
Taxonomy ID:7227
Gender:Male and female

Factors:

Subject type: Invertebrate; Subject species: Drosophila melanogaster (Factor headings shown in green)

mb_sample_id local_sample_id Line Sex Species Age
SA17814476Ana-00 females ananassae -
SA178145119Ana-00 females ananassae -
SA17814674Ana-00 females ananassae -
SA178312tube.57ana-00 F ananassae 31
SA178313tube.1ana-00 F ananassae 5
SA178147105Ana-00 males ananassae -
SA178148166Ana-00 males ananassae -
SA178149151Ana-00 males ananassae -
SA178314tube.58ana-00 M ananassae 31
SA178315tube.2ana-00 M ananassae 5
SA17815077Ana-12 females ananassae -
SA178151138Ana-12 females ananassae -
SA178152112Ana-12 females ananassae -
SA178316tube.59ana-12 F ananassae 31
SA178317tube.3ana-12 F ananassae 5
SA17815343Ana-12 males ananassae -
SA17815427Ana-12 males ananassae -
SA17815570Ana-12 males ananassae -
SA178318tube.60ana-12 M ananassae 31
SA178319tube.4ana-12 M ananassae 5
SA178156152Ana-15 females ananassae -
SA178157143Ana-15 females ananassae -
SA178158117Ana-15 females ananassae -
SA178320tube.61ana-15 F ananassae 31
SA178321tube.5ana-15 F ananassae 5
SA178159145Ana-15 males ananassae -
SA17816037Ana-15 males ananassae -
SA1781617Ana-15 males ananassae -
SA178322tube.62ana-15 M ananassae 31
SA178323tube.6ana-15 M ananassae 5
SA17816264Ere-00 females erecta -
SA178163158Ere-00 females erecta -
SA178164164Ere-00 females erecta -
SA178324tube.63ere-00 F erecta 31
SA178325tube.7ere-00 F erecta 5
SA17816511Ere-00 males erecta -
SA178166123Ere-00 males erecta -
SA178167130Ere-00 males erecta -
SA178326tube.64ere-00 M erecta 31
SA178327tube.8ere-00 M erecta 5
SA178186163Mel-14 females melanogaster -
SA17818762Mel-14 females melanogaster -
SA178188154Mel-14 females melanogaster -
SA178328tube.97mel-14 F melanogaster 31
SA178329tube.9mel-14 F melanogaster 5
SA17818984Mel-14 males melanogaster -
SA178190104Mel-14 males melanogaster -
SA178191148Mel-14 males melanogaster -
SA178330tube.10mel-14 M melanogaster 5
SA178192111Mel-56 females melanogaster -
SA17819361Mel-56 females melanogaster -
SA17819450Mel-56 females melanogaster -
SA178331tube.65mel-56 F melanogaster 31
SA178332tube.11mel-56 F melanogaster 5
SA17819580Mel-56 males melanogaster -
SA17819687Mel-56 males melanogaster -
SA178197122Mel-56 males melanogaster -
SA178333tube.12mel-56 M melanogaster 5
SA17819875Mel-61 females melanogaster -
SA178334tube.66mel-61 F melanogaster 31
SA178335tube.13mel-61 F melanogaster 5
SA17819914Mel-61 males melanogaster -
SA178200113Mel-61 males melanogaster -
SA178336tube.84mel-61 M melanogaster 31
SA178337tube.14mel-61 M melanogaster 5
SA178168169MJ-122 females mojavensis -
SA17816919MJ-122 females mojavensis -
SA178170167MJ-122 females mojavensis -
SA178171136MJ-122 males mojavensis -
SA17817213MJ-122 males mojavensis -
SA17817396MJ-122 males mojavensis -
SA178174162MJCI-1002 females mojavensis -
SA178175132MJCI-1002 females mojavensis -
SA178176135MJCI-1002 females mojavensis -
SA17817773MJCI-1002 males mojavensis -
SA17817834MJCI-1002 males mojavensis -
SA17817983MJCI-1002 males mojavensis -
SA1781804MJCI-2008 females mojavensis -
SA17818112MJCI-2008 females mojavensis -
SA17818251MJCI-2008 females mojavensis -
SA178183121MJCI-2008 males mojavensis -
SA1781849MJCI-2008 males mojavensis -
SA178185147MJCI-2008 males mojavensis -
SA178338tube.85moj-1002 F mojavensis 31
SA178339tube.15moj-1002 F mojavensis 5
SA178340tube.16moj-1002 M mojavensis 5
SA178341tube.86moj-2008 F mojavensis 31
SA178342tube.17moj-2008 F mojavensis 5
SA178343tube.87moj-2008 M mojavensis 31
SA178344tube.18moj-2008 M mojavensis 5
SA178201110Per-02 females persimilis -
SA178202157Per-02 females persimilis -
SA178203137Per-02 females persimilis -
SA178345tube.19per-02 F persimilis 5
SA1782043Per-02 males persimilis -
SA178205156Per-02 males persimilis -
SA17820624Per-02 males persimilis -
SA178346tube.20per-02 M persimilis 5
SA178207109Per-17 females persimilis -
SA178208102Per-17 females persimilis -
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Collection:

Collection ID:CO001997
Collection Summary:We collected virgin males and females into vials with banana medium under light CO2 anesthesia within 8 hours of eclosion, except D. virilis, which was collected within 12 hours of eclosion. Flies were reared on banana media. For targeted analysis 3 flies from each sex/genotype combination at 5 and 31 days of age were flash frozen and stored at -80°C. For untargeted analysis five days old flies in groups of 10 flies were flash frozen in 1.5 mL tubes in liquid N2 and stored at -80°C until metabolite extraction
Sample Type:Insect tissue
Storage Conditions:-80℃

Treatment:

Treatment ID:TR002016
Treatment Summary:Sex, genotype, and age.

Sample Preparation:

Sampleprep ID:SP002010
Sampleprep Summary:Metabolites were extracted by homogenizing samples in 200uL HPLC water (Sigma) using a TissueLyser (TissueLyser II, Qiagen) for 6 minutes at 25 Hz at 4°C. We then added 800uL methanol and incubated for 30 minutes on dry ice. The suspension was homogenized again for 10 minutes at 25Hz, then spun at 14,000rcf for 10 minutes at 4°C. The supernatant was transferred to a new tube and dried in a Speed-Vac at 30°C.

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 Triple quadrupole 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

MS:

MS ID:MS002910
Analysis ID:AN003130
Instrument Name:ABI Sciex 5500 QTrap
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments: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). Both positive and negative ionization modes were used.
Ion Mode:UNSPECIFIED
  
MS ID:MS002911
Analysis ID:AN003131
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The ESI voltage was 3.8 kV, and the m/z scan range was 60-1000. The Q-TOF data were extracted using Agilent MassHunter Qualitative Analysis (version B.07.00), Quantitative Analysis (version B.07.01), and Mass Profiler Professional (MPP, version B.13.00) software. The absolute intensity threshold for the LC-Q-TOF data extraction was 1000, and the mass accuracy limit was set to 10 ppm. Both positive and negative ionization modes were analyzed.
Ion Mode:POSITIVE
  
MS ID:MS002912
Analysis ID:AN003132
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The ESI voltage was 3.8 kV, and the m/z scan range was 60-1000. The Q-TOF data were extracted using Agilent MassHunter Qualitative Analysis (version B.07.00), Quantitative Analysis (version B.07.01), and Mass Profiler Professional (MPP, version B.13.00) software. The absolute intensity threshold for the LC-Q-TOF data extraction was 1000, and the mass accuracy limit was set to 10 ppm. Both positive and negative ionization modes were analyzed.
Ion Mode:NEGATIVE
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