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.

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Study IDST002285
Study TitleMultiplatform mass spectrometry-based analysis of Leishmania donovani infected macrophages at different time points after infection
Study TypeMutiplatform mass spectrometry-based metabolomics, time course experiment
Study SummaryThe 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
DepartmentChemistry and Biochemistry
LaboratoryCentre for Metabolomics and Bioanalysis (CEMBIO)
Last NameFernández García
First NameMiguel
AddressCentro de Metabolómica y Bioanálisis (CEMBIO), Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660 Boadilla del Monte. España
Emailmig.fernandez.ce@ceindo.ceu.es
Phone+0034690090778
Submit Date2022-07-01
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2024-07-01
Release Version1
Miguel Fernández García Miguel Fernández García
https://dx.doi.org/10.21228/M8C12D
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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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
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