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.

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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:Invertebrate

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

Combined analysis:

Analysis ID AN000157 AN000158 AN000159
Analysis type MS MS MS
Chromatography type Reversed phase Reversed phase Reversed phase
Chromatography system Thermo Dionex Ultimate 3000 Thermo Dionex Ultimate 3000 Thermo Dionex Ultimate 3000
Column Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)
MS Type ESI ESI ESI
MS instrument type Orbitrap Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE POSITIVE NEGATIVE
Units

Chromatography:

Chromatography ID:CH000112
Chromatography Summary:Samples were injected onto an Waters Acquity UPLC HSS T3 (2.1x100 mm, 1.8 micron) column using a column temperature of 35 C and a flow rate of 300 L/min with solvent A (0.1% formic acid in water (Fisher LC-MS Optima)) held at 100% A for 1 min, followed by linear increase to 80% B (0.1% formic acid in acetonitrile) over 10 min, kept constant for 2 min, followed by a return to initial conditions over 0.5 min and equilibration for 3 min.
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)
Flow Rate:300 L/min
Injection Temperature:4 C
Solvent A:0.1% formic acid in water (Fisher LC-MS Optima)
Solvent B:0.1% formic acid in acetonitrile
Chromatography Type:Reversed phase

MS:

MS ID:MS000131
Analysis ID:AN000157
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:HSP_pos.raw, HSP_F9_pos.raw, HSP_F10_pos.raw
Ion Mode:POSITIVE
Fragmentation Method:Full MS
Resolution Setting:70000
Scan Range Moverz:70-1000
  
MS ID:MS000132
Analysis ID:AN000158
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:HSP_ms2_pos.raw
Ion Mode:POSITIVE
Fragmentation Method:Full MS/DD-MS2 (TOPN)
Resolution Setting:70,000, 17,500
Scan Range Moverz:70-1000
  
MS ID:MS000133
Analysis ID:AN000159
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:HSP_F10_ms2_neg.raw, HSP_F9_ms2_neg.raw
Ion Mode:NEGATIVE
Fragmentation Method:Full MS/DD-MS2 (TOPN)
Resolution Setting:70,000, 17,500
Scan Range Moverz:70-1000
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