Summary of Study ST000040

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 PR000018. The data can be accessed directly via it's Project DOI: 10.21228/M8Z59Q This work is supported by NIH grant, U2C- DK119886.

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Study IDST000040
Study TitleHeatshock response of C. elegans using IROA (I)
Institute
University of Florida
DepartmentBiochemistry & Molecular Biology
LaboratoryEdison
Last NameStupp
First NameGregory
Emailstuppie@ufl.edu
Submit Date2013-12-10
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Uploaded File Size3.2 G
Analysis Type DetailLC-MS
Release Date2014-03-05
Release Version1
Gregory Stupp Gregory Stupp
https://dx.doi.org/10.21228/M8Z59Q
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN000060 AN000061
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Accela 1250 Thermo Accela 1250
Column Thermo Scientific Gold aQ Thermo Scientific Gold aQ
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE NEGATIVE
Units Peak area Peak area

Chromatography:

Chromatography ID:CH000041
Chromatography Summary:Three microliters of each sample were injected onto a Thermo Scientific Gold aQ (150 × 2.1 mm, 1.9 μm) column using a column temperature of 40 °C and a flow rate of 600 μL/min with a gradient of solvent A (0.1% formic acid in water) and solvent B (0.1% formic acid in acetonitrile) from 100% solvent A for 1 min followed by a linear gradient to 20% B in 6 min, a linear gradient to 60% B in 2 min, a linear gradient to 95% B in 4 min, held for 2 min, and a 3.5 min return to the starting composition. The inlet to the Orbitrap was held at a temperature of 320 °C, and the S-lens RF Level was set to 35%. The FR resolution was set to 70 000 at m/z 200. The accuracy achieved was routinely less than 1.5 ppm, externally calibrated.
Instrument Name:Thermo Accela 1250
Column Name:Thermo Scientific Gold aQ
Column Temperature:40 °C
Flow Gradient:A (0.1% formic acid in water) and solvent B (0.1% formic acid in acetonitrile) from 100% solvent A for 1 min followed by a linear gradient to 20% B in 6 min, a linear gradient to 60% B in 2 min, a linear gradient to 95% B in 4 min, held for 2 min, and a 3.5 min return to the starting composition
Sample Injection:3 ?L
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:18.5 min
Chromatography Type:Reversed phase
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