Summary of Study ST001993
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 PR001266. The data can be accessed directly via it's Project DOI: 10.21228/M82M5M 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 | ST001993 |
| Study Title | CE-MS based metabolomics to study plasma samples that reveal new pathways implicated in SARS-CoV-2 pathogenesis |
| Study Summary | CE-MS based metabolomics was used in this study to analize COVID-19 disease and the susceptibility to SARS-CoV-2. In total, 63 plasma samples were analyzed and different comparisons were performed. To our knowledge, CE-MS has never been used to study COVID-19 and it is considered in this study an appropriate approach to extend the polar metabolome beyond what has been obtained by LC-MS and GC-MS |
| Institute | Universidad CEU San Pablo |
| Department | Pharmacy |
| Laboratory | Centro de Metabolomica y Bioanálisis (CEMBIO) |
| Last Name | Barbas |
| First Name | Coral |
| Address | CEU Universities, Urbanización Montepríncipe |
| cbarbas@ceu.es | |
| Phone | +34 913724700 |
| Submit Date | 2021-11-16 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | d |
| Analysis Type Detail | LC-MS |
| Release Date | 2021-12-05 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003250 |
|---|---|
| Analysis type | MS |
| Chromatography type | Unspecified |
| Chromatography system | 7100 capillary electrophoresis (CE) |
| Column | fused-silica capillary from Agilent Technologies (total length,100 cm; inner diameter,50um) |
| MS Type | ESI |
| MS instrument type | Other |
| MS instrument name | Agilent 6230 TOF |
| Ion Mode | POSITIVE |
| Units | Peak Area |
MS:
| MS ID: | MS003023 |
| Analysis ID: | AN003250 |
| Instrument Name: | Agilent 6230 TOF |
| Instrument Type: | Other |
| MS Type: | ESI |
| MS Comments: | The mass spectra data were acquired in positive polarity with a full scan range from 70 - 1000 m/z at a rate of 1.36 scan/s. The other MS parameters were as follows: fragmentor set to 125 V, skimmer to 65 V, OCT RF Vpp to 750 V, drying gas temperature to 200 °C, flow rate to 10 L/min, nebulizer to 10 psig, and capillary voltage to 3500 V. The sheath liquid contained two reference masses (5 µL of purine with m/z 121.0509 and 5 µL of HP-0921 with m/z 922.0098) in MeOH:H2O (1/1, v/v) with 1 mM formic acid, and the flow rate was 0.6 mL/min (1:100 split). The MS data were acquired using the Agilent MassHunter Workstation (version B.09.00, Agilent Technologies), and the raw data were inspected with the MassHunter Qualitative software (version B.08.00, Agilent Technologies) before data processing. CE-MS raw data were checked using MassHunter Qualitative software (version 10.0) to determine the data quality, the system mass accuracy and the reproducibility of QC injection and MetS area. Then, raw data were processed with MassHunter Profinder software (version 10.0 SP1) applying molecular feature extraction (MFE) to clean the data background and unrelated ions. MFE was also applied to find coeluting adducts (+H+ and +Na+ in positive ionization and neutral loss of water). Afterwards, the batch recursive feature extraction (RFE) algorithm, also included in the software, was used to align all the features across the samples by using the mass and retention time (RT). RFE re-extracts the batch files and improves the final compound group list, as it uses the previous results (mass and RT) obtained by the MFE algorithm to perform a more targeted extraction. |
| Ion Mode: | POSITIVE |
