Summary of Study ST001217
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 PR000816. The data can be accessed directly via it's Project DOI: 10.21228/M86Q4H 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 | ST001217 |
| Study Title | LCMS untargeted Plasma analysis from COPD subjects |
| Study Summary | To use LCMS untargeted metabolomics for the purpose of detecting metabolites in 115 matched BAL and plasma that are associated with COPD |
| Institute | University of Colorado Anschutz Medical Campus; National Jewish Health |
| Last Name | Reisdorph |
| First Name | Nichole |
| Address | 12850 E Montview Blvd |
| Nichole.Reisdorph@cuanschutz.edu | |
| Phone | 303-720-9234 |
| Submit Date | 2019-07-10 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | d |
| Analysis Type Detail | LC-MS |
| Release Date | 2020-07-15 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002029 | AN002030 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | HILIC |
| Chromatography system | Agilent 6545 | Agilent 6520 |
| Column | Agilent Zorbax RRHD SB-C18 (100 x 2.1mm,1.8um) | Phenomenex Kinetex HILIC 100A (50 x 2.1 mm,2.6um) |
| MS Type | ESI | ESI |
| MS instrument type | QTOF | QTOF |
| MS instrument name | Agilent 6545 QTOF | Agilent 6520 QTOF |
| Ion Mode | POSITIVE | POSITIVE |
| Units | Abundance (Log2) | Abundance (Log2) |
Chromatography:
| Chromatography ID: | CH001470 |
| Chromatography Summary: | Reversed phase samples from the lipid fraction were randomized in the worklist and run randomly in triplicate using an Agilent 1290 series pump with an Agilent Zorbax Rapid Resolution HD (RRHD) SB-C18, 1.8 micron (2.1 × 100 mm) analytical column and an Agilent Zorbax SB-C18, 1.8 micron (2.1 × 5 mm) guard column. The autosampler tray temperature was set at 4 °C, column temperature was set at 60 °C, and the sample injection volume was 8 µL for BAL and 4 µL for plasma. The flow rate was 0.7 mL/min with the following mobile phases: mobile phase A was water with 0.1% formic acid, and mobile phase B was 60:36:4 isopropyl alcohol:acetonitrile:water with 0.1% formic acid. Gradient elution was as follows: 0–0.5 minutes 30–70% B, 0.5–7.42 minutes 70–100% B, 7.42–10.4 minutes 100% B, 10.4–10.5 minutes 100–30% B, 10.5–15.1 minutes 30% B. |
| Instrument Name: | Agilent 6545 |
| Column Name: | Agilent Zorbax RRHD SB-C18 (100 x 2.1mm,1.8um) |
| Column Temperature: | 60 |
| Flow Gradient: | 0-0.5 minutes 30-70% B, 0.5-7.42 minutes 70-100% B, 7.42-10.4 minutes 100% B, 10.4-10.5 minutes 100-30% B, 10.5-15.1 minutes 30% B |
| Flow Rate: | 0.7 mL/min |
| Solvent A: | 100% water; 0.1% formic acid, |
| Solvent B: | 60% isopropanol/36% acetonitrile/4% water; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH001471 |
| Chromatography Summary: | The samples from the aqueous small molecule fraction were analyzed randomly in triplicate using an Agilent 1290 series pump using a Phenomenex Kinetex HILIC, 2.6 µm, 100 Å (2.1 × 50 mm) analytical column and an Agilent Zorbax Eclipse Plus-C8 5 µm (2.1 × 12.5 mm) narrow bore guard column. The autosampler tray temperature was set at 4 °C, column temperature was set at 20 °C, and the sample injection volume was 1 µL for both BAL and plasma. The flow rate of 0.6 mL/min with the following mobile phases: mobile phase A was 50% ACN with pH 5.8 ammonium acetate, and mobile phase B was 90% ACN with pH 5.8 ammonium acetate. Gradient elution was as follows: 0.2 minutes 100% B, 0.2–2.1 minutes 100–90% B, 2.1–8.6 minutes 90–50% B, 8.6–8.7 minutes 50–0% B, 8.7–14.7 minutes 0% B, 14.7–14.8 minutes 0–100% B, 14.8–24.8 minutes 100% B. |
| Instrument Name: | Agilent 6520 |
| Column Name: | Phenomenex Kinetex HILIC 100A (50 x 2.1 mm,2.6um) |
| Column Temperature: | 20 |
| Flow Gradient: | 0.2 minutes 100% B, 0.2-2.1 minutes 100-90% B, 2.1-8.6 minutes 90-50% B, 8.6-8.7 minutes 50-0% B, 8.7-14.7 minutes 0% B, 14.7-14.8 minutes 0-100% B, 14.8-24.8 minutes 100% B. |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 50% acetonitrile/50% water; ammonium acetate, pH 5.8 |
| Solvent B: | 90% acetonitrile/5% water, pH 5.8 |
| Chromatography Type: | HILIC |
