Summary of Study ST001328
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 PR000906. The data can be accessed directly via it's Project DOI: 10.21228/M8KD7Z 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 | ST001328 |
| Study Title | Multiplatform, non-targeted analysis of lung extracts of uninfected and Mtb-infected C57BL/6 mice at 4 and 9 weeks p.i. |
| Study Summary | The goal of this multiplatform, non-targeted metabolomics study was to explore the metabolic alterations occurring during the natural progression of pulmonary tuberculosis in a murine model of disease (C57BL/6 genotype). For this purpose, we used gas chromatography, capillary electrophoresis, and reversed-phase liquid chromatography coupled to high-resolution mass analyzers (GC-EI-QTOF/MS, CE-ESI(+)-QTOF/MS, LC-ESI(+)-QTOF/MS and LC-ESI(-)-QTOF/MS to analyze lung extracts of age and sex-matched uninfected mice (UW, n=4), Mycobacterium tuberculosis-infected mice at 4 weeks post-infection (4W, n=4) and Mycobacterium tuberculosis-infected mice at 9 weeks post-infection. All data were acquired in MS1 mode, following a canonical non-targeted workflow. |
| Institute | Universidad CEU San Pablo |
| Department | Departamento de Quimica y Bioquimica |
| Laboratory | Centro de Metabolomica y Bioanalisis (CEMBIO) |
| Last Name | Fernandez Garcia |
| First Name | Miguel |
| Address | Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte, Spain |
| miguel.fernandezgarcia@ceu.es | |
| Phone | +34690090778 |
| Submit Date | 2020-03-12 |
| Num Groups | 3 |
| Total Subjects | 13 |
| Num Males | 6 |
| Num Females | 7 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | d |
| Analysis Type Detail | GC-MS/LC-MS |
| Release Date | 2021-03-15 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002211 | AN002212 | AN002213 | AN002214 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | GC | CE |
| Chromatography system | Agilent 1200 | Agilent 1200 | Agilent 7890B | Agilent 7100 CE |
| Column | Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) | Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) | Agilent DB5-MS (30m x 0.25mm, 0.25um) | Agilent bare-fused silica capillary (96 cm x 50 um i.d.) |
| MS Type | ESI | ESI | EI | ESI |
| MS instrument type | QTOF | QTOF | QTOF | TOF |
| MS instrument name | Agilent 6520 QTOF | Agilent 6520 QTOF | Agilent 7200 | Agilent 6224 TOF |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | POSITIVE |
| Units | Abundance | Abundance | Abundance | Abundance |
Chromatography:
| Chromatography ID: | CH001621 |
| Chromatography Summary: | 5 μL of extracted lung samples were injected into a thermostated (60 °C) Agilent Poroshell 120 EC-C8 column (150 mm × 2.1 mm, 2.7 μm; Agilent Technologies, CA, USA) with a guard column Ascentis Express C8 (5 mm × 2.1 mm, 2.7 μm; Supelco, Bellefonte, PA, USA). The flow rate was 0.4 mL·min-1 with solvent A (10 mM ammonium formate in Milli-Q water) and solvent B (10 mM ammonium formate in methanol and 15 % of isopropanol) for analysis in positive ionization mode. Initial conditions at time 0 were 82 % B, increasing to 96 % B in 30 min. This was then held until 38 min. The gradient then increased to 100 % B by 38.5 min and held until 40.5 min. The conditions were then returned to the starting conditions by 42 min, followed by an 8 min re-equilibration time. The total run time of the method was 50 min. |
| Instrument Name: | Agilent 1200 |
| Column Name: | Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) |
| Column Temperature: | 60 |
| Flow Gradient: | Initial conditions at time 0 were 82 % B, increasing to 96 % B in 30 min. This was then held until 38 min. The gradient then increased to 100 % B by 38.5 min and held until 40.5 min. The conditions were then returned to the starting conditions by 42 min, followed by an 8 min re-equilibration time. The total run time of the method was 50 min. |
| Flow Rate: | 0.4mL·min-1 |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 85% methanol/15% isopropanol; 0.1 % formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH001622 |
| Chromatography Summary: | 5 μL of extracted lung samples were injected into a thermostated (60 °C) Agilent Poroshell 120 EC-C8 column (150 mm × 2.1 mm, 2.7 μm; Agilent Technologies, CA, USA) with a guard column Ascentis Express C8 (5 mm × 2.1 mm, 2.7 μm; Supelco, Bellefonte, PA, USA). The flow rate was 0.4 mL·min-1 with solvent A (MilliQ water with 0.1 % formic acid), and solvent B (methanol with 0.1 % formic acid and 15 % of isopropanol) for analysis in negative ionization mode. Initial conditions at time 0 were 82 % B, increasing to 96 % B in 30 min. This was then held until 38 min. The gradient then increased to 100 % B by 38.5 min and held until 40.5 min. The conditions were then returned to the starting conditions by 42 min, followed by an 8 min re-equilibration time. The total run time of the method was 50 min. |
| Instrument Name: | Agilent 1200 |
| Column Name: | Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) |
| Column Temperature: | 60 |
| Flow Gradient: | Initial conditions at time 0 were 82 % B, increasing to 96 % B in 30 min. This was then held until 38 min. The gradient then increased to 100 % B by 38.5 min and held until 40.5 min. The conditions were then returned to the starting conditions by 42 min, followed by an 8 min re-equilibration time. The total run time of the method was 50 min. |
| Flow Rate: | 0.4mL·min-1 |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 85% methanol/15% isopropanol; 0.1 % formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH001623 |
| Chromatography Summary: | 1 µL of sample was injected into a multimode inlet at 230 °C with a split ratio set at 1:12 with 9.354 mL·min-1 connected to a capillary column (30 m x 0.25 mm x 0.25 µm; Agilent, Germany). Helium was used as carrier gas, at a flow rate of 0.78 mL·min-1. Column temperature was 60 °C for 1 min and then programmed to increase at a rate of 10 °C·min-1 until 325 °C which was maintained for 10 min. Total runtime was 37.5 min. |
| Instrument Name: | Agilent 7890B |
| Column Name: | Agilent DB5-MS (30m x 0.25mm, 0.25um) |
| Flow Rate: | 9.354 mL·min-1 |
| Chromatography Type: | GC |
| Chromatography ID: | CH001624 |
| Chromatography Summary: | The separation occurred in a fused-silica capillary (Agilent Technologies) (total length, 96 cm; i.d., 50 μm) under normal polarity with a background electrolyte containing 1.0 M formic acid in 10 % (v/v) methanol at 20 °C. Sheath liquid (6 µL·min-1) was methanol/water (1/1, v/v) containing 1.0 mM formic acid with two reference masses to allow correction and high mass resolution in the MS. Samples were hydrodynamically injected at 50 mbar for 35 s and stacked by injecting background electrolyte at 100 mbar for 10 s. |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | Agilent bare-fused silica capillary (96 cm x 50 um i.d.) |
| Chromatography Type: | CE |
