Summary of Study ST000098

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 PR000090. The data can be accessed directly via it's Project DOI: 10.21228/M85K56 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

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Study IDST000098
Study TitleHeatshock response of C. elegans using IROA (II)
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
Phone352-392-4535
Submit Date2014-09-15
Num Groups1
Total Subjects1
Raw Data AvailableYes
Raw Data File Type(s)fid
Uploaded File Size978 M
Analysis Type DetailNMR
Release Date2015-11-04
Release Version1
Arthur Edison Arthur Edison
https://dx.doi.org/10.21228/M85K56
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000090
Project DOI:doi: 10.21228/M85K56
Project Title:13C Metabolomics: NMR and IROA for Unknown Identification
Project Summary:Demonstrate a method using high-sensitivity NMR to identify an unknown metabolite from a fraction isolated from an IROA LC-MS experiment.
Institute:University of Florida
Department:Department of Biochemistry and Molecular Biology and Southeastern Center for Integrated Metabolomics (SECIM)
Laboratory:Edison
Last Name:Edison
First Name:Arthur
Email:aedison@ufl.edu
Phone:352-392-4535

Subject:

Subject ID:SU000117
Subject Type:Invertebrate
Subject Species:Caenorhabditis elegans
Taxonomy ID:6239
Genotype Strain:N2
Species Group:Invertebrates

Factors:

Subject type: Invertebrate; Subject species: Caenorhabditis elegans (Factor headings shown in green)

mb_sample_id local_sample_id Fractionation
SA005497HSP_F9_ms2_neg.rawfraction 4-4.5 min
SA005498HSP_F9_pos.rawfraction 4-4.5 min
SA005495HSP_F10_pos.rawfraction 4.5-5 min
SA005496HSP_F10_ms2_neg.rawfraction 4.5-5 min
SA005499HSP_ms2_pos.rawUnfractionated
SA005500HSP_pos.rawUnfractionated
Showing results 1 to 6 of 6

Collection:

Collection ID:CO000100
Collection Summary:Samples were already collected.
Collection Protocol Filename:NMR_Methods.docx
LCMSMethod.docx
Sample Type:Worms

Treatment:

Treatment ID:TR000118
Treatment Summary:No further treatment

Sample Preparation:

Sampleprep ID:SP000113
Sampleprep Summary:Samples were mixed together and resuspended in 120 ?L of water.
Sampleprep Protocol Filename:NMR_Methods.docx
LCMSMethod.docx

Analysis:

Analysis ID:AN000160
Laboratory Name:Arthur Edison
Analysis Type:NMR
Analysis Comments:HSQC dataset was collected using the custom 1.5 mm HTS probe
Software Version:VNMRJ
Operator Name:Chaevien Clendinen
Randomization Order:NMR/Processed
Data Format:Varian FID
Chromatography ID:CH000112
Num Factors:3
  
Analysis ID:AN000161
Laboratory Name:Arthur Edison
Analysis Type:NMR
Analysis Comments:HSQC-TOCSY dataset was collected using the custom 1.5 mm HTS prob
Software Version:VNMRJ
Operator Name:Chaevien Clendinen
Randomization Order:NMR/Processed
Data Format:Varian FID
Chromatography ID:CH000112
Num Factors:3
  
Analysis ID:AN000162
Laboratory Name:Arthur Edison
Analysis Type:NMR
Analysis Comments:Carbon 1D dataset was all collected using the custom 1.5 mm HTS prob
Software Version:VNMRJ
Operator Name:Chaevien Clendinen
Randomization Order:NMR/Processed
Data Format:Varian FID
Chromatography ID:CH000112
Num Factors:3

NMR:

NMR ID:NM000029
Analysis ID:AN000160
Instrument Name:Agilent VNMRS-600
Instrument Type:FT-NMR
NMR Experiment Type:2D 1H-13C HSQC
Spectrometer Frequency:600 MHz
NMR Probe:custome 1.5 mm HTS probe
NMR Solvent:D2O
NMR Tube Size:1.5 mm
Pulse Width:90d
Power Level:37
Offset Frequency:4.77
Temperature:23d
Number Of Scans:32
Dummy Scans:16
Acquisition Time:0.14
Relaxation Delay:1.5 sec
Spectral Width:12 ppm ; 205.5 ppm
Num Data Points Acquired:2048
Real Data Points:1024
Line Broadening:2
Zero Filling:2x
Apodization:EM
Baseline Correction Method:POLY
  
NMR ID:NM000030
Analysis ID:AN000161
Instrument Name:Agilent VNMRS-600
Instrument Type:FT-NMR
NMR Experiment Type:2D 1H-13C HSQC-TOCSY
Spectrometer Frequency:600 MHz
NMR Probe:custome 1.5 mm HTS probe
NMR Solvent:D2O
NMR Tube Size:1.5 mm
Pulse Width:90d
Power Level:37
Offset Frequency:4.77
Temperature:23d
Number Of Scans:96
Dummy Scans:16
Acquisition Time:0.14
Relaxation Delay:1.5 sec
Spectral Width:13 ppm ; 205.5 ppm/14 ppm ; 205.5 ppm
Num Data Points Acquired:2048
Real Data Points:1024
Line Broadening:2
Zero Filling:2x
Apodization:EM
Baseline Correction Method:POLY
  
NMR ID:NM000031
Analysis ID:AN000162
Instrument Name:Agilent VNMRS-600
Instrument Type:FT-NMR
NMR Experiment Type:1D 13C
Spectrometer Frequency:600 MHz
NMR Probe:custome 1.5 mm HTS probe
NMR Solvent:D2O
NMR Tube Size:1.5 mm
Pulse Width:60d
Power Level:57
Temperature:23d
Number Of Scans:512
Dummy Scans:16
Relaxation Delay:2 sec
Spectral Width:212 ppm
Num Data Points Acquired:96154
Real Data Points:48077
Line Broadening:5
Zero Filling:2x
Apodization:EM
Baseline Correction Method:POLY
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