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.
| Study ID | ST002321 |
| Study Title | 13C NMR metabolomics: integrating J-resolved STOCSY and INADEQUATE |
| Study Summary | Robust 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 Name | Uchimiya |
| First Name | Mario |
| Address | 315 Riverbend Rd, Athens, GA, 30602, USA |
| mario.uchimiya@uga.edu | |
| Phone | (706) 542-8387 |
| Submit Date | 2022-10-17 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | ser |
| Analysis Type Detail | NMR |
| Release Date | 2022-11-25 |
| Release Version | 1 |
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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 |
