Summary of Study ST002285
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 PR001465. The data can be accessed directly via it's Project DOI: 10.21228/M8C12D 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 | ST002285 |
| Study Title | Multiplatform mass spectrometry-based analysis of Leishmania donovani infected macrophages at different time points after infection |
| Study Type | Mutiplatform mass spectrometry-based metabolomics, time course experiment |
| Study Summary | The project aims to measure targeted and non-targeted metabolite data of intracellular extracts of uninfected and Leishmania-donovani infected macrophages at 0, 12, 36 and 72 hours post infection using a multiplatform mass spectrometry approach combining CE-TOF/MS (polar metabolites), LC-QTOF/MS (non-polar metabolites) and LC-QqQ/MS (polar metabolites) to characterize the dynamics of metabolic alterations ocurring in the human macrophage upon L. donovani infection. |
| Institute | Universidad CEU San Pablo |
| Department | Chemistry and Biochemistry |
| Laboratory | Centre for Metabolomics and Bioanalysis (CEMBIO) |
| Last Name | Fernández García |
| First Name | Miguel |
| Address | Centro de Metabolómica y Bioanálisis (CEMBIO), Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte. España |
| mig.fernandez.ce@ceindo.ceu.es | |
| Phone | +0034690090778 |
| Submit Date | 2022-07-01 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2024-07-01 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003734 | AN003735 | AN003736 | AN003737 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | CE | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Agilent 7100 CE | Agilent 1200 | Agilent 1200 | Agilent 1290 Infinity |
| Column | bare-fused silica capillary (96 cm,50um),Agilent Technologies | Agilent Zorbax Extend C18 RRHT (50 x 2.1mm,1.8 um) | Agilent Zorbax Extend C18 RRHT (50 x 2.1mm,1.8 um) | Agilent Zorbax RRHD SB-C18 (100 x 2.1mm,1.8um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | TOF | QTOF | QTOF | Triple quadrupole |
| MS instrument name | Agilent 6224 TOF | Agilent 6545 QTOF | Agilent 6545 QTOF | Agilent 6460 QQQ |
| Ion Mode | POSITIVE | POSITIVE | NEGATIVE | NEGATIVE |
| Units | Abundances | Abundances | Abundances | Normalized abundances |
Chromatography:
| Chromatography ID: | CH002766 |
| Chromatography Summary: | CE separation for charged metabolites which ionice in positive mode, in acid media. |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | bare-fused silica capillary (96 cm,50um),Agilent Technologies |
| Column Temperature: | 20 ºC |
| Injection Temperature: | 20 ºC |
| Internal Standard: | methionine sulfone |
| Sample Injection: | 50 mbar for 100 s hydrodynamical injection stacking of 100 mbar for 20 s |
| Capillary Voltage: | 30 kV |
| Running Buffer: | 1M formic acid in MeOH:H2O 1:9 (v/v) |
| Sheath Liquid: | 100 mL of Milli-Q water with 100 mL of 100% methanol (Thermo Fisher Scientific, Loughborough, UK), 4 µL of concentrated formic acid, 10 µL of 5 mM purine and 10 µL 2.5 hexakis (1H,1H,3H-tetrafluoropropoxy)phosphazene HP722 (CE-TOF/MS reference masses, Agilent Technologies, CA, USA) |
| Chromatography Type: | CE |
| Chromatography ID: | CH002767 |
| Chromatography Summary: | RPLC method for separating phospholipids and non very non-polar lipids |
| Instrument Name: | Agilent 1200 |
| Column Name: | Agilent Zorbax Extend C18 RRHT (50 x 2.1mm,1.8 um) |
| Column Temperature: | 60 ºC |
| Flow Gradient: | Initial conditions at time 0 were 5% B, held until 1 min. Next, the percentage of organic phase was gradually increased up to 80% B at 7 min and subsequently until 100% B at 11.5 min. The conditions were then returned to the starting conditions by 12 min, followed by a 3 min re-equilibration time. The total run time of the method was 15 min. |
| Flow Rate: | 0.6 mL/min |
| Injection Temperature: | 4 ºC |
| Sample Injection: | 8 uL |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002768 |
| Chromatography Summary: | Adapted from Agilent dMRM database and method with minor modifications |
| Instrument Name: | Agilent 1290 Infinity |
| Column Name: | Agilent Zorbax RRHD SB-C18 (100 x 2.1mm,1.8um) |
| Column Temperature: | 35 ºC |
| Flow Gradient: | Binary pump gradient: Time (min) flow (mL/min) %B; Quaternary pump gradient: Time (min) flow (mL/min) %C %D 0 0 1 99 23.95 0 1 99 24 0.2 1 99 27 0.2 1 99 27.5 0.3 1 99 43.35 0.3 1 99 43.5 0.3 1 99 52.25 0.2 100 0 59 0.2 100 0 59.9 0.2 1 99 60 0 1 99 0.00 0.25 0 2.5 0.25 0 7.5 0.25 20 13 0.25 45 20 0.25 99 24 0.25 99 24.05 0 99 24.1 0 0 58.95 0 0 59 0.20 0 60 0.25 0; |
| Flow Rate: | 0.25 mL/min |
| Injection Temperature: | 4 ºC |
| Sample Injection: | 20 uL |
| Solvent A: | 97% water/3% methanol; 15 mM acetic acid; 10 mM tributylamine |
| Solvent B: | 100% methanol; 15 mM acetic acid; 10 mM tributylamine; |
| Chromatography Type: | Reversed phase |
