Summary of Study ST001251
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 PR000838. The data can be accessed directly via it's Project DOI: 10.21228/M8C671 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
Study ID | ST001251 |
Study Title | The effects of a training program encompassing cold exposure, breathing exercises, and meditation on plasma metabomics during experimental human endotoxemia |
Study Type | Experimental human endotoxemia study |
Study Summary | Study to investigate the effects of a training program encompassing cold exposure, breathing exercises, and meditation on plasma metabolomic during experimental human endotoxemia. |
Institute | Radboud University Medical Centre |
Department | Intensive Care Medicine |
Laboratory | Metabolomic Discoveries (acquired by Metabolon in September 2017) |
Last Name | Kox |
First Name | Matthijs |
Address | Intensive Care Medicine (710), Geert Grooteplein 10 |
matthijs.kox@radboudumc.nl | |
Phone | 243653881 |
Submit Date | 2019-09-16 |
Num Groups | 2 |
Total Subjects | 24 |
Num Males | 24 |
Analysis Type Detail | LC-MS |
Release Date | 2019-10-04 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
Analysis ID | AN002077 |
---|---|
Analysis type | MS |
Chromatography type | Reversed phase |
Chromatography system | Agilent 1290 |
Column | Discovery HS F5-3 (15cm x 2.1 mm,3um) Supelco,Sigma Aldrich) |
MS Type | ESI |
MS instrument type | QTOF |
MS instrument name | Agilent 6540 QTOF |
Ion Mode | UNSPECIFIED |
Units | relative abundance |
MS:
MS ID: | MS001928 |
Analysis ID: | AN002077 |
Instrument Name: | Agilent 6540 QTOF |
Instrument Type: | QTOF |
MS Type: | ESI |
MS Comments: | The 6540 QTOF/MS Detector (Agilent) operated in both positive and negative ESI mode in a detection range of 50 to 1700 m/z at 2 GHz in extended dynamic range. The DualAJS ESI source was set to the following parameters: Gas temperature 200 °C, drying gas 8 L/min, nebulizer 35 psig, sheath gas temp: 350 °C, sheath gas flow 11 L/min, VCAp 3500 V and nozzle voltage of 0 V. Online calibration of the instrument was performed throughout the data acquisition using Agilent ES-TOF Reference Mass Solution Kit. Chromatograms were generated by the LC-MS instrument in .d format. Raw data were converted into mzXML and chromatogram peaks were extracted using XCMS v1.42.0 (https://pubs.acs.org/doi/10.1021/ac051437y), which was optimized using the IPO R package (https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-015-0562-8) with the following settings: peakwidth=c(10, 70), ppm= 20, snthresh=10, mzdiff=0.0034, prefilter=c(3, 100), noise=100, gapInit=0.8448, gapExtend=2.0544, bw=5, mzwid=0.015, minfrac=0.5, max=50. All further analyses were performed in R programming language, Metaboanalyst 4.0 (https://www.nature.com/articles/nprot.2011.319), and GraphPad Prism version 5.0 (GraphPad Software). IDEOM software (http://mzmatch.sourceforge.net/ideom.php; https://academic.oup.com/bioinformatics/article/28/7/1048/210126) was used to eliminate noise and for putative peak annotation by exact mass within ±10 ppm against the Metabolomic Discoveries in house metabolite library (https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0125044) in negative and positive ESI mode, respectively. Retention time prediction was applied to aid metabolite annotation. |
Ion Mode: | UNSPECIFIED |