Summary of Study ST002321

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 PR001487. The data can be accessed directly via it's Project DOI: 10.21228/M8HM7D This work is supported by NIH grant, U2C- DK119886.

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

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002321
Study Title13C NMR metabolomics: integrating J-resolved STOCSY and INADEQUATE
Study SummaryRobust annotation of metabolites remains a challenging task in metabolomics. This study introduces an approach that uses 13C homonuclear J-resolved experiment (JRES), statistical total correlation spectroscopy (STOCSY), and 2D incredible natural abundance double-quantum experiment (INADEQUATE) complementarily, to obtain robust molecular structure information based on 13C NMR with less experiment time. This approach was tested using the endometabolome from a model marine phytoplankton strain, varying the settings of incubation temperature, nutrient condition, and the presence of co-culturing bacteria.
Institute
University of Georgia
Last NameUchimiya
First NameMario
Address315 Riverbend Rd, Athens, GA, 30602, USA
Emailmario.uchimiya@uga.edu
Phone‭(706) 542-8387‬
Submit Date2022-10-17
Raw Data AvailableYes
Raw Data File Type(s)ser
Analysis Type DetailNMR
Release Date2022-11-25
Release Version1
Mario Uchimiya Mario Uchimiya
https://dx.doi.org/10.21228/M8HM7D
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Sample Preparation:

Sampleprep ID:SP002413
Sampleprep Summary:Phytoplankton cells were removed from filters using a sonicator SLPe (Branson) in ultra-pure water (Millipore), concentrated by a lyophilizer (Labconco), and kept -80oC until further processing. The samples were mixed with 600 µL of 30 mmol L-1 sodium phosphate buffer (18 mmol L-1 NaHPO4, 12 mmol L-1, pH 7.4) and an internal standard of 2,2-dimethyl-2-silapentane-5-sulfonate-d6 (DSS, 1 mmol L-1), vortexed at 4oC for 5 minutes, centrifuged at 20,800 rcf using an ultracentrifuge 5417C (Eppendorf) at 4oC for 10 minutes, and supernatants were transferred to 5-mm NMR tubes (NORELL).
Sampleprep Protocol Filename:4_Sample preparation protocol__UGA_phytoplankton_Oct2022.docx
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