Summary of Study ST002469

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 PR001595. The data can be accessed directly via it's Project DOI: 10.21228/M8J13B 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 IDST002469
Study TitleMesenchymal stromal cell (MSC) Metabolite MS study
Study TypeUntargeted Metabolite Study
Study SummaryMetabolomics and lipidomics workflows were used to analyze Mesenchymal stromal cell (MSC) metabolites. Metabolite abundances were used to model MSC potency results in IDO and T-cell proliferation assays.
Institute
Georgia Institute of Technology
DepartmentChemistry and Biochemistry
LaboratoryFernandez Lab
Last NameVan Grouw
First NameAlexandria
Address311 Ferst Dr. NW Atlanta, GA 30332
Emailagrouw3@gatech.edu
Phone7072391412
Submit Date2023-02-07
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2023-02-26
Release Version1
Alexandria Van Grouw Alexandria Van Grouw
https://dx.doi.org/10.21228/M8J13B
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Combined analysis:

Analysis ID AN004025 AN004026 AN004027 AN004028
Analysis type MS MS MS MS
Chromatography type Reversed phase Reversed phase HILIC HILIC
Chromatography system Q Exactive HF Hybrid Quadrupole-Orbitrap Q Exactive HF Hybrid Quadrupole-Orbitrap Orbitrap ID-X Tribrid mass spectrometer Orbitrap ID-X Tribrid mass spectrometer
Column AccucoreTM C30 column (2.1 × 150 mm, 2.6 µm particle size) AccucoreTM C30 column (2.1 × 150 mm, 2.6 µm particle size) Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um) Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
MS Type ESI ESI ESI ESI
MS instrument type Orbitrap Orbitrap Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap Thermo Orbitrap ID-X tribrid Thermo Orbitrap ID-X tribrid
Ion Mode POSITIVE NEGATIVE POSITIVE NEGATIVE
Units Peak Area Peak Area Peak Area Peak Area

MS:

MS ID:MS003772
Analysis ID:AN004025
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Mobile Phase A for Reverse Phase chromatography in positive mode was 40:60 water: acetonitrile with 10 mM ammonium formate and 0.1% formic acid and Mobile Phase B was 10:90 acetonitrile:isopropyl alcohol, with 10 mM ammonium formate and 0.1% formic acid.
Ion Mode:POSITIVE
  
MS ID:MS003773
Analysis ID:AN004026
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:For negative ionization mode, the mobile phases were 40:60 water:acetonitrile with 10 mM ammonium acetate (mobile phase A) and 10:90 acetonitrile:isopropyl alcohol, with 10 mM ammonium acetate (mobile phase B).
Ion Mode:NEGATIVE
  
MS ID:MS003774
Analysis ID:AN004027
Instrument Name:Thermo Orbitrap ID-X tribrid
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:​Mobile Phase A used for HILIC chromatography was 80:20 water:MeCN with 10 mM ammonium formate and 0.1% formic acid. Mobile phase B for HILIC chromatography was acetonitrile with 0.1% formic acid. The flow rate was set at 0.4 mL/min.  The column temperature was set to 40 °C, the injection volume was 2 µL.
Ion Mode:POSITIVE
  
MS ID:MS003775
Analysis ID:AN004028
Instrument Name:Thermo Orbitrap ID-X tribrid
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:​Mobile Phase A used for HILIC chromatography was 80:20 water:MeCN with 10 mM ammonium formate and 0.1% formic acid. Mobile phase B for HILIC chromatography was acetonitrile with 0.1% formic acid. The flow rate was set at 0.4 mL/min.  The column temperature was set to 40 °C, the injection volume was 2 µL.
Ion Mode:NEGATIVE
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