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 |
MS:
| MS ID: | MS003482 |
| Analysis ID: | AN003734 |
| Instrument Name: | Agilent 6224 TOF |
| Instrument Type: | TOF |
| MS Type: | ESI |
| MS Comments: | mass range mz 68 to 1000 mass correction mz 121.0509 and 922.0098 mass calibrators Acq mode full scan AMH Profinder B.08.00 for feature deconvolution CMM Batch Search and in house library of standards with RMT |
| Ion Mode: | POSITIVE |
| Capillary Voltage: | 3500 V |
| Dry Gas Flow: | 10 L/min |
| Dry Gas Temp: | 200 ºC |
| Fragment Voltage: | 125 V |
| Nebulizer: | 10 psi |
| Octpole Voltage: | 750 V |
| MS ID: | MS003483 |
| Analysis ID: | AN003735 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | full MS: mass range mz 50 to 3000 mass correction mz 121.0509 and 922.0098 mass calibrators iterative MSMS of pooled samples isolation width = 1.3 Da CE with slope and offset of 3.8 and 4.6, respectively AMH Profinder B.08.00 for feature deconvolution CMM Batch Search and in house library of standards with RMT AMH LipidAnnotator for in silico anotation of MSMS spectra |
| Ion Mode: | POSITIVE |
| Capillary Voltage: | 4000 V |
| Dry Gas Flow: | 12 L/min |
| Dry Gas Temp: | 250 ºC |
| Fragment Voltage: | 125 V |
| Nebulizer: | 52 psi |
| Octpole Voltage: | 750 V |
| MS ID: | MS003484 |
| Analysis ID: | AN003736 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | full MS: mass range mz 50 to 3000 mass correction mz 121.0509 and 922.0098 mass calibrators iterative MSMS of pooled samples isolation width = 1.3 Da CE with slope and offset of 3.8 and 4.6, respectively AMH Profinder B.08.00 for feature deconvolution CMM Batch Search and in house library of standards with RMT AMH LipidAnnotator for in silico anotation of MSMS spectra |
| Ion Mode: | NEGATIVE |
| Capillary Voltage: | 4000 V |
| Dry Gas Flow: | 12 L/min |
| Dry Gas Temp: | 250 ºC |
| Fragment Voltage: | 125 V |
| Nebulizer: | 52 psi |
| Octpole Voltage: | 750 V |
| MS ID: | MS003485 |
| Analysis ID: | AN003737 |
| Instrument Name: | Agilent 6460 QQQ |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | MRM isolation width narrow 1.3 Da AMH Quantitative Analysis (Quant My Way) for targeted data integration cycle time = 650 ms MRM repeats = 3 nozzle voltage = 500 V |
| Ion Mode: | NEGATIVE |
| Capillary Voltage: | 2000 V |
| Dry Gas Flow: | 12 L/min |
| Dry Gas Temp: | 325 ºC |
| Nebulizer: | 45 psi |
