Summary of Study ST001028
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 PR000686. The data can be accessed directly via it's Project DOI: 10.21228/M80Q2W 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 | ST001028 |
Study Title | Metabolic profiling of identified single cells in Xenopus laevis embryos |
Study Type | Metabolic profiling of single cells |
Study Summary | Single D11 cells were identified in 16-cell embryos of Xenopus laevis. Metabolites were extracted, and the extracts were analyzed using a custom-built capillary electrophoresis electrospray ionization platform coupled to a quadrupole time-of-flight mass spectrometer. The resulting metadata was analyzed by Trace, a custom-design software, designed to extract molecular feautres from trace-sensitive metabolomics experiments. The results were validated against molecular features that were extracted by manual curation of the same raw mass spectrometer files. |
Institute | University of Maryland |
Department | Department of Chemistry & Biochemistry |
Laboratory | Nemes Laboratory |
Last Name | Nemes |
First Name | Peter |
Address | 0107 Chemistry Building, 8051 Regents Dr, College Park, MD 20742 |
nemes@umd.edu | |
Phone | 3014050373 |
Submit Date | 2018-07-25 |
Num Groups | 5 biological replicates (different cells from different embryos) + 1-to-3 technical replicates (same extract analyzed multiple times) |
Total Subjects | 5 different D11 cells were analyzed, each from a different embryo |
Publications | Trace: Machine Learning of Signal Images for Trace-Sensitive Mass Spectrometry – A Case Study from Single-Cell Metabolomics |
Raw Data Available | Yes |
Raw Data File Type(s) | mzML |
Analysis Type Detail | LC-MS |
Release Date | 2019-09-23 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
Analysis ID | AN001686 |
---|---|
Analysis type | MS |
Chromatography type | CE |
Chromatography system | Custom built CE system |
Column | Bare fused silica capillary |
MS Type | ESI |
MS instrument type | QTOF |
MS instrument name | Bruker Impact HD |
Ion Mode | POSITIVE |
Units | PeakAreaInCounts |
MS:
MS ID: | MS001561 |
Analysis ID: | AN001686 |
Instrument Name: | Bruker Impact HD |
Instrument Type: | QTOF |
MS Type: | ESI |
Ion Mode: | POSITIVE |
Capillary Temperature: | Ca. 100 degC |
Capillary Voltage: | -1700 V |
Dry Gas Flow: | 2 L/min |
Dry Gas Temp: | 100 degC |
Ion Source Temperature: | 100 degC |
Mass Accuracy: | <10 ppm |
Dataformat: | .d (Bruker) |
Resolution Setting: | ~45000 FWHM |
Scanning Cycle: | 2 Hz spectral |
Scanning Range: | m/z 50-550 |