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Strategic Utilization of Gas Chromatography with Both Nominal and High Resolution Time-of-Flight Mass Spectrometers for Metabolomic Studies
David E. Alonso, Jeff Patrick, and Joe Binkley

The Pegasus series of mass spectrometers are indispensable tools for metabolomics research:
-Throughput
-Discovery
-Confirmation
GC-HRT analyses resulted in confident metabolite identifications:
-Spectral similarity searches
-Formulae for fragment, molecular, and adduct ions

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Myth Busters: The Truth About Metabolomics and High Resolution Gas Chromatography Time-of-Flight Mass Spectrometry
David E. Alonso, Joe Binkley, and Lorne Fell

The data summarized in this presentation dispels myths associated with the utilization of GC-MS for analytes which are critical for metabolomic studies. GC-HRT provides high quality, accurate mass data for:
-Spectral similarity searches (NIST, Wiley, etc.)
-Formula determination (fragment, molecular & adduct ions)
-GC-HRT is an indispensible tool for the analysis of complex biological samples.

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Automatic Characterization of Lipids Using Charge Remote Fragmentation Ions and Peaks Characteristic of Fatty Acid Fragmentation From MALDI MS/MS Data
Ningombam Sanjib Meitei*(1); Arun Apte(2); Dietmar Waidelich(3); Fadi Abdi(4); Matthias Glueckmann(3)

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

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Automatic Characterization of Lipids Using Charge Remote Fragmentation Ions and Peaks Characteristic of Fatty Acid Fragmentation From MALDI MS/MS Data
Ningombam Sanjib Meitei*(1); Arun Apte(2); Dietmar Waidelich(3); Fadi Abdi(4); Matthias Glueckmann(3)

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

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Characterization of Metabolites From Medicago truncatula Using Gas Chromatography Mass Spectrometry—Addressing the Knowns and Unknowns Using High Resolution Time-of-Flight
Joe Binkley, David Alonso, Jeff Patrick, David V. Huhman, Feng Qiu, Dennis Fine, and Lloyd W. Sumner

Analyses of the M. truncatula extracts were performed, and data processing focused on qualitative analyses. This provided the opportunity for known analyte verification and unknown identification in a meaningful matrix and the demonstration of the key attributes and benefits of GC-HRT.

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Utilization of Hydrogen Carrier Gas on a High Resolution GC-TOFMS System: An Application Compendium
Joe Binkley, David Alonso

GC-HRT methods utilizing hydrogen carrier gas were developed for analysis of representative specialty chemical, forensic, and metabolomic markets.

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Integrated platform including automated bligh and dyer extraction and dual-column
Emmanuel Varesio, Guenter Boehm, Sandra Jahn, Renzo Picenoni, Gérard Hopfgartner

• Automated Bligh and Dyer extraction for metabolomic studies.
• Dual-column UHPLC setup for the analysis of the polar and lipidic fractions.
• Alternating acidic and basic mobile phase for the separation of the polar fraction.
• Identification of unknown compounds by SWATH HR MS2 spectra acquisition.

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Deciphering Regulatory Mechanisms in M. xanthus Using Isotopic Ratio Outlier Analysis (IROA) for Metabolome-wide Quantitation
Daniel Krug 1,2, Carsten Volz 1, Aiko Barsch 3, Chris Beecher 4, Felice de Jong 4, Rolf Müller 1,2

Comprehensive study of regulation in myxobacteria with an untargeted metabolomics setup using Isotopic Ratio Outlier Analysis (IROA) and UHR-Q-TOF

Reliable relative quantitation of known and unknown metabolites from a myxobacterial mutant strain in response to induction of the transcriptional antirepressor taA

Compound identification facilitated by the use of ultra-high resolution MS and the knowledge of the number of carbons in each molecule due to IROA

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Identification and classification of antifouling compounds secreted by anti MIC microorganisms. A metabolomic analysis.
Albillos SM; Balaña-Fouce R; Montero O; Barreiro-Mendez C; Blas-Galindo E; Barros-García R; Guedella-Bustamante E; Ullán RV

BIOCORIN project, aims to develop a green alternative to the coatings and solutions used up to date for MIC corrosion control. Some of the results of this project are presented here, with the identification of several relevant antifouling compounds secreted by environmentally isolated anti-MIC strains of microorganisms via a metabolomic approach.

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Plasma Biomarkers for Breast Cancer Diagnosis
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How Different People Respond To Aspirin
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Altered Metabolism of Four Compounds Drives Glioblastoma Growth
Findings suggest new ways to treat the malignancy, slow its progression and reveal its extent more precisely.
A Metabolic Twist that Drives Cancer Survival
A novel metabolic pathway that helps cancer cells thrive in conditions that are lethal to normal cells has been identified.
Liver-On-Chip Tracks Dynamics of Cellular Function
Hebrew University’s liver-on-chip platform is uniquely able to monitor metabolic changes indicating mitochondrial damage occurring at drug concentrations previously regarded as safe.
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