Summary of Study ST002790
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 PR001021. The data can be accessed directly via it's Project DOI: 10.21228/M8QM5H 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 | ST002790 |
| Study Title | Community metabolomes reflect taxon-specific fingerprints of phytoplankton and heterotrophic bacteria in the ocean (expanded) |
| Study Type | Metabolomic survey of 46 phytoplankton and heterotrophic bacteria species |
| Study Summary | This study is an updated version of the prior study in this project, ST001514. With this update we introduce additional marine species, in particular the heterotrophic bacteria, and include our expanded library of authentic standards (available at https://github.com/IngallsLabUW/Ingalls_Standards/blob/430992e10c0464a817c69d22e3905d73f2ea196f/Ingalls_Lab_Standards.csv) for improved targeted coverage. |
| Institute | University of Washington |
| Last Name | Kumler |
| First Name | William |
| Address | 1501 NE Boat St, Seattle, WA, 98105, USA |
| wkumler@uw.edu | |
| Phone | 9095551234 |
| Submit Date | 2023-07-20 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-08-07 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004540 |
|---|---|
| Analysis type | MS |
| Chromatography type | HILIC |
| Chromatography system | Waters Acquity I-Class |
| Column | SeQuant ZIC-pHILIC (150 x 2.1mm,5um) |
| MS Type | ESI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive HF hybrid Orbitrap |
| Ion Mode | POSITIVE |
| Units | normalized peak area per liter seawater filtered |
MS:
| MS ID: | MS004287 |
| Analysis ID: | AN004540 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Metabolomic data was collected on a Thermo Q Exactive HF hybrid Orbitrap mass spectrometer. The capillary and auxiliary gas heater temperatures were maintained at 320°C and 100°C, respectively. The S-lens RF level was kept at 65, the H-ESI voltage was set to 3.3 kV and sheath gas, auxiliary gas, and sweep gas flow rates were set at 16, 3, and 1, respectively. Polarity switching was used with a scan range of 60 to 900 m/z and a resolution of 60,000. Calibration was performed every 3-4 days at a target mass of 200 m/z. All files were then converted to an open-source mzML format and centroided via Proteowizard’s msConvert tool. Skyline was used to for manual integration and QC of quantified data, while XCMS was used with a custom QC method for peak area data and each feature manually reviewed. |
| Ion Mode: | POSITIVE |
