Summary of Study ST000101

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 PR000089. The data can be accessed directly via it's Project DOI: 10.21228/M8988G This work is supported by NIH grant, U2C- DK119886.

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Study IDST000101
Study TitleNMR analysis of Synthetic Mixture Analysis
Study TypeSynthetic
Study SummaryTwo groups of mixtures with 5 replicates each were each made using 20 synthetic metabolites. Some metabolites were at equal concentrations in both groups, and 10 metabolites differed between groups with half higher in group A, and half higher in group B.
Institute
University of Florida
DepartmentDepartment of Biochemistry and Molecular Biology and Southeastern Center for Integrated Metabolomics (SECIM)
LaboratoryArthur Edison
Last NameEdison
First NameArthur
AddressR3-226 Academic Research Building, Department of Biochemistry & Molecular Biology, PO Box 100245, Gainesville, FL 32610-0245
Emailaedison@ufl.edu
Submit Date2014-09-15
Num Groups2
Total Subjects10
Raw Data AvailableYes
Raw Data File Type(s)fid
Uploaded File Size11 M
Analysis Type DetailNMR
Release Date2015-02-03
Release Version1
Arthur Edison Arthur Edison
https://dx.doi.org/10.21228/M8988G
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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NMR:

NMR ID:NM000034
Analysis ID:AN000167
Instrument Name:Varian
Instrument Type:FT-NMR
NMR Experiment Type:1D 13C
Spectrometer Frequency:600 MHz
NMR Probe:1.5 mm HTS cryoprobe
NMR Solvent:D2O
NMR Tube Size:1.5 mm
Shimming Method:Manual
Pulse Sequence:1D 13C
Pulse Width:60
Receiver Gain:28
Temperature:22 degree Celsius
Number Of Scans:8192
Dummy Scans:16
Acquisition Time:0.8s
Relaxation Delay:0.1
Spectral Width:212 ppm
Num Data Points Acquired:51282
Real Data Points:25641
Line Broadening:2 Hz
Zero Filling:2x
Apodization:Exponential
  
NMR ID:NM000035
Analysis ID:AN000168
Instrument Name:Varian
Instrument Type:FT-NMR
NMR Experiment Type:1D 1H
Spectrometer Frequency:600 MHz
NMR Probe:1.5 mm HTS cryoprobe
NMR Solvent:D2O
NMR Tube Size:1.5 mm
Shimming Method:Manual
Pulse Sequence:1D 1H
Water Suppression:Presaturation
Pulse Width:45
Receiver Gain:28
Offset Frequency:4.77
Chemical Shift Ref Cpd:TSP
Temperature:22 degree Celsius
Number Of Scans:64
Dummy Scans:16
Acquisition Time:2.0s
Relaxation Delay:2s
Spectral Width:12 ppm
Num Data Points Acquired:32768
Real Data Points:16384
Zero Filling:2x
Apodization:Cosine squared
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