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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Project:

Project ID:PR000089
Project DOI:doi: 10.21228/M8988G
Project Title:13C Metabolomics: Applications at Natural Abundance
Institute:University of Florida
Department:Department of Biochemistry and Molecular Biology
Laboratory:Edison
Last Name:Edison
First Name:Arthur
Address:R3-226 Academic Research Building, Department of Biochemistry & Molecular Biology, PO Box 100245, Gainesville, FL 32610-0245
Email:aedison@ufl.edu
Phone:352-392-4535

Subject:

Subject ID:SU000120
Subject Type:Synthetic Sample
Subject Species:-

Factors:

Subject type: Synthetic Sample; Subject species: - (Factor headings shown in green)

mb_sample_id local_sample_id Mixture Concentration (mM)
SA005564Mixture B4(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low
SA005566Mixture B3(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low
SA005568Mixture B5(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low
SA005570Mixture B1(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low
SA005572Mixture B2(Arg,Nicotinamide,Lys,Trp,Carnitine)-High ( Met,Pro,Glu,Glucose,Ile)-Low
SA005563Mixture A4( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low
SA005565Mixture A3( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low
SA005567Mixture A5( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low
SA005569Mixture A1( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low
SA005571Mixture A2( Met,Pro,Glu,Glucose,Ile)-High (Arg,Nicotinamide,Lys,Trp,Carnitine)-Low
Showing results 1 to 10 of 10

Collection:

Collection ID:CO000103
Collection Summary:-
Sample Type:Synthetic Mixture
Volumeoramount Collected:50 microliters
Storage Conditions:-80 degree Celsius

Treatment:

Treatment ID:TR000121

Sample Preparation:

Sampleprep ID:SP000116
Sampleprep Summary:Two groups of mixtures with 5 replicates each were each made using 20 synthetic metabolites ranging in concentration from 1 to 5 mM. The first ten metabolites were at equal concentrations in both groups, and the remaining 10 metabolites differed between groups with half higher in group A, and half higher in group B. Samples were brought to 50 microliters using 99% D2O and 40 microliters were pipetted into a 1.5 mm tube.
Sampleprep Protocol Filename:SyntheticMix_Concentrations.pdf
Sampleprep Protocol Comments:10 metabolites were of similar concentration between the two groups.

Analysis:

Analysis ID:AN000167
Laboratory Name:Edison
Analysis Type:NMR
Analysis Comments:1D 13C
Software Version:VNMRJ
Operator Name:Chaevien Clendinen
Data Format:Varian
Chromatography ID:CH000115
Num Factors:2
  
Analysis ID:AN000168
Laboratory Name:Edison
Analysis Type:NMR
Analysis Comments:1D 1H
Software Version:VNMRJ
Operator Name:Chaevien Clendinen
Data Format:Varian
Chromatography ID:CH000115
Num Factors:2

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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