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.
Study ID | ST002763 |
Study Title | Metabolomic and lipidomic characterization of Haemophilus influenzae Rd KW20 |
Study Summary | This 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 Name | García |
First Name | Antonia |
Address | Centro de Metabolómica y Bioanálisis (CEMBIO), Facultad de Farmacia, Universidad San Pablo-CEU, Urbanización Montepríncipe, 28660, Boadilla del Monte, España |
miguel.fernandezgarcia@ceu.es | |
Phone | 913724711 |
Submit Date | 2023-06-25 |
Raw Data Available | Yes |
Raw Data File Type(s) | mzML |
Analysis Type Detail | GC-MS/LC-MS |
Release Date | 2024-01-01 |
Release Version | 1 |
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 |