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
| Study ID | ST000098 |
| Study Title | Heatshock response of C. elegans using IROA (II) |
| Institute | University of Florida |
| Department | Department of Biochemistry and Molecular Biology and Southeastern Center for Integrated Metabolomics (SECIM) |
| Laboratory | Arthur 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 |
| aedison@ufl.edu | |
| Phone | 352-392-4535 |
| Submit Date | 2014-09-15 |
| Num Groups | 1 |
| Total Subjects | 1 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | fid |
| Uploaded File Size | 978 M |
| Analysis Type Detail | NMR |
| Release Date | 2015-11-04 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
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 |
|---|---|---|
| SA005497 | HSP_F9_ms2_neg.raw | fraction 4-4.5 min |
| SA005498 | HSP_F9_pos.raw | fraction 4-4.5 min |
| SA005495 | HSP_F10_pos.raw | fraction 4.5-5 min |
| SA005496 | HSP_F10_ms2_neg.raw | fraction 4.5-5 min |
| SA005499 | HSP_ms2_pos.raw | Unfractionated |
| SA005500 | HSP_pos.raw | Unfractionated |
| 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 |
