Summary of Study ST002763

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 PR001721. The data can be accessed directly via it's Project DOI: 10.21228/M87X4W 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 IDST002763
Study TitleMetabolomic and lipidomic characterization of Haemophilus influenzae Rd KW20
Study SummaryThis study aims to comprehensively characterize the polar metabolome and the phosphlipidome of Haemophilus influenzae Rd Kw20, to provide an improved understanding of this bacterial metabolome by comparison with data inferred from genome annotation data.
Institute
Universidad CEU San Pablo
Last NameGarcía
First NameAntonia
AddressCentro de Metabolómica y Bioanálisis (CEMBIO), Facultad de Farmacia, Universidad San Pablo-CEU, Urbanización Montepríncipe, 28660, Boadilla del Monte, España
Emailmiguel.fernandezgarcia@ceu.es
Phone913724711
Submit Date2023-06-25
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailGC-MS/LC-MS
Release Date2024-01-01
Release Version1
Antonia García Antonia García
https://dx.doi.org/10.21228/M87X4W
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Combined analysis:

Analysis ID AN004492 AN004493 AN004494 AN004495 AN004496 AN004497
Analysis type MS MS MS MS MS MS
Chromatography type GC CE Reversed phase Reversed phase Reversed phase Reversed phase
Chromatography system Agilent 7890B Agilent 7100 CE Agilent 1290 Infinity Agilent 1290 Infinity Agilent 1290 Infinity Agilent 1290 Infinity
Column Agilent DB5-MS (30m x 0.25mm, 0.25um) fused silica capillary (70 cm; 50 um i.d.), Agilent Technologies Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um)
MS Type EI ESI ESI ESI ESI ESI
MS instrument type QTOF TOF QTOF QTOF QTOF QTOF
MS instrument name Agilent 7250 Agilent 6224 TOF Agilent 6545 QTOF Agilent 6545 QTOF Agilent 6545 QTOF Agilent 6545 QTOF
Ion Mode UNSPECIFIED POSITIVE POSITIVE NEGATIVE POSITIVE NEGATIVE
Units raw abundance raw abundance raw abundance raw abundance raw abundance

MS:

MS ID:MS004239
Analysis ID:AN004492
Instrument Name:Agilent 7250
Instrument Type:QTOF
MS Type:EI
MS Comments:70 eV EI source, Full MS scan, m/z range from 45 to 650. Acquisition rate of 6.67 spectra/s Data processed using Agilent MassHunter Unknowns Analysis and Agilent MassHunter Quantitative Analysis. Feature assignment performed by comparison with Fiehn exact mass, NIST, and in-house exact mass libraries.
Ion Mode:UNSPECIFIED
  
MS ID:MS004240
Analysis ID:AN004493
Instrument Name:Agilent 6224 TOF
Instrument Type:TOF
MS Type:ESI
MS Comments:drying gas T = 200 ºC; drying gas flow rate = 10 L/min; nebulizer pressure = 10 psi; capillary V = 5500 V; fragmentor V = 125 V; skimmer V = 65 V; octopole RFV = 650 V; Acquisition mode: Full-MS scan, m/z range from 70 to 1000; acquisition rate = 1.36 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00, feature assignment performed with CEU Mass Mediator Exp RMT Search and CEU Mass Mediator Batch Search.
Ion Mode:POSITIVE
  
MS ID:MS004241
Analysis ID:AN004494
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Full MS scan, mz range = 50 to 3000; acquisition rate = 3.5 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) and CEU Mass Mediator Batch Search.
Ion Mode:POSITIVE
  
MS ID:MS004242
Analysis ID:AN004495
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Auto MS/MS, mz range = 50 to 3000; acquisition rate = 3.5 spectra/s. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0) and CEU Mass Mediator Batch Search.
Ion Mode:NEGATIVE
  
MS ID:MS004243
Analysis ID:AN004496
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Auto MS/MS, isolation width = narrow (1.3 Da); collision energy (ramp) = 3.8; offset (ramp) = 4 6. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0)
Ion Mode:POSITIVE
  
MS ID:MS004244
Analysis ID:AN004497
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Drying gas T = 300 ºC; drying gas flow rate = 12 L/min; Capillary V = 3500 V; fragmentor V = 150 V; skimmer V = 65 V; octopole RFV = 750 V. MS acquisition mode = Iterative auto MS/MS, isolation width = narrow (1.3 Da); collision energy (ramp) = 3.8; offset (ramp) = 4 6. Data processed with Agilent MassHunter Profinder B.10.00 and Agilent MassHunter Qualitative Analysis (B.08.00). Feature annotation performed with Agilent MassHunter Lipid Annotator (v.1.0)
Ion Mode:NEGATIVE
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