Summary of Study ST002789
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 PR001738. The data can be accessed directly via it's Project DOI: 10.21228/M82719 This work is supported by NIH grant, U2C- DK119886. See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST002789 |
| Study Title | Metabolomic analysis of particulate matter in the NPSG during a 2017 cruise on the R/V Kilo Moana as part of the MESOSCOPE program |
| Study Summary | Targeted and untargeted analysis of metabolomics samples from the North Pacific Subtropical Gyre taken during the 2017 June/July SCOPE cruise on the R/V Kilo Moana (KM1709) across a mesoscale eddy dipole, with high-resolution depth profile sampling across the DCM in the center of each eddy. Particulate matter was collected on 0.2um filters and extracted using a modified Bligh & Dyer before analysis on a QE Orbitrap. Results show significant changes in the absolute quantity and relative composition of particles in the gyre between anticyclonic and cyclonic eddies. |
| Institute | University of Washington |
| Department | School of Oceanography |
| Laboratory | Ingalls Lab |
| Last Name | Kumler |
| First Name | William |
| Address | 1501 NE Boat St, Seattle, WA 98105 |
| wkumler@uw.edu | |
| Phone | 2062216732 |
| Submit Date | 2023-07-19 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-08-10 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004538 | AN004539 |
|---|---|---|
| Chromatography ID | CH003409 | CH003409 |
| MS ID | MS004285 | MS004286 |
| Analysis type | MS | MS |
| Chromatography type | HILIC | HILIC |
| Chromatography system | Waters Acquity I-Class | Waters Acquity I-Class |
| Column | SeQuant ZIC-HILIC (150 x 2.1mm, 5um) | SeQuant ZIC-HILIC (150 x 2.1mm, 5um) |
| MS Type | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive HF hybrid Orbitrap | Thermo Q Exactive HF hybrid Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | normalized peak area per liter seawater filtered | normalized peak area per liter seawater filtered |
MS:
| MS ID: | MS004285 |
| Analysis ID: | AN004538 |
| 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 (QE) 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 |
| MS ID: | MS004286 |
| Analysis ID: | AN004539 |
| 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 (QE) 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 with the model trained on positive mode data applied to these negative mode results. |
| Ion Mode: | NEGATIVE |
