Summary of Study ST001353

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 PR000923. The data can be accessed directly via it's Project DOI: 10.21228/M8CT2B 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 IDST001353
Study TitleUntargeted metabolomics in skeletal muscle of mice with chronic kidney disease
Study TypeMS quantitative analysis
Study SummaryThis study performed untargeted metabolomics analysis of skeletal muscle obtained form mice with and without chronic kidney disease.
Institute
University of Florida
Last NameRyan
First NameTerence
Address1864 Stadium Rd, FLG 114, Gainesville, FL, 32611, USA
Emailryant@ufl.edu
Phone352-294-1700
Submit Date2020-04-02
Num Groups4
Total Subjects18
Num Males8
Num Females10
Study Commentstwo control male samples processed mistakenly were from soles muscles, while all other samples were gastrocnemius muscles. Due to differences in fiber type proportions, soleus muscles were not used in final analysis
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2020-12-31
Release Version1
Terence Ryan Terence Ryan
https://dx.doi.org/10.21228/M8CT2B
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002251 AN002252
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Dionex Thermo Dionex
Column ACE 5 C18-300 (100 x 2.1mm) ACE 5 C18-300 (100 x 2.1mm)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Exactive Plus Orbitrap
Ion Mode POSITIVE NEGATIVE
Units peak height peak height

MS:

MS ID:MS002096
Analysis ID:AN002251
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:samples were processed on a Thermo Q-Exactive Oribtrap mass spectrometer with Dionex UHPLC and autosampler. All samples were analyzed in positive and negative heated electrospray ionization with a mass resolution of 35,000 at m/z 200 as separate injections. Separation was achieved on an ACE 18-pfp 100 x 2.1 mm, 2 µm column with mobile phase A as 0.1% formic acid in water and mobile phase B as acetonitrile. This is a polar embedded stationary phase that provides comprehensive coverage, but does have some limitation is the coverage of very polar species. The flow rate was 350 µL/min with a column temperature of 25°C. 4 µL was injected for negative ions and 2 µL for positive ions. Data from positive and negative ion modes were separately subjected to statistical analyses. MZmine (freeware) was used to identify features, deisotope, align features and perform gap filling to fill in any features that may have been missed in the first alignment algorithm. All adducts and complexes were identified and removed from the data set. The primary source of feature identification was performed by mapping against an internal retention time metabolite library established by the SECIM. Additional metabolite searches were performed using HMDB (http://www.hmdb.ca) and the Metabolomics Workbench (https://www.metabolomicsworkbench.org) through a search of the m/z ratio with a [M+H] adduct and a tolerance of 0.002 m/z.
Ion Mode:POSITIVE
  
MS ID:MS002097
Analysis ID:AN002252
Instrument Name:Thermo Exactive Plus Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:samples were processed on a Thermo Q-Exactive Oribtrap mass spectrometer with Dionex UHPLC and autosampler. All samples were analyzed in positive and negative heated electrospray ionization with a mass resolution of 35,000 at m/z 200 as separate injections. Separation was achieved on an ACE 18-pfp 100 x 2.1 mm, 2 µm column with mobile phase A as 0.1% formic acid in water and mobile phase B as acetonitrile. This is a polar embedded stationary phase that provides comprehensive coverage, but does have some limitation is the coverage of very polar species. The flow rate was 350 µL/min with a column temperature of 25°C. 4 µL was injected for negative ions and 2 µL for positive ions. Data from positive and negative ion modes were separately subjected to statistical analyses. MZmine (freeware) was used to identify features, deisotope, align features and perform gap filling to fill in any features that may have been missed in the first alignment algorithm. All adducts and complexes were identified and removed from the data set. The primary source of feature identification was performed by mapping against an internal retention time metabolite library established by the SECIM. Additional metabolite searches were performed using HMDB (http://www.hmdb.ca) and the Metabolomics Workbench (https://www.metabolomicsworkbench.org) through a search of the m/z ratio with a [M+H] adduct and a tolerance of 0.002 m/z.
Ion Mode:NEGATIVE
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