Wachsrnuth, Christian J. and Almstetter, Martin F. and Waldhier, Magdalena C. and Gruber, Michael A. and Nurnberger, Nadine and Oefner, Peter J. and Dettmer, Katja (2011) Performance Evaluation of Gas Chromatography-Atmospheric Pressure Chemical Ionization-Time-of-Flight Mass Spectrometry for Metabolic Fingerprinting and Profiling. ANALYTICAL CHEMISTRY, 83 (19). pp. 7514-7522. ISSN 0003-2700, 1520-6882
Full text not available from this repository. (Request a copy)Abstract
Gas chromatography-atmospheric-pressure chemical ionization-time-of-flight mass spectrometry (GC-APCI-TOFMS) was compared to GC x GC-electron ionization (EI)-TOFMS, GC-EI-TOFMS, GC-chemical ionization (CI)-quadrupole mass spectrometry (qMS), and GC-EI-qMS in terms of reproducibility, dynamic range, limit of detection, and quantification using a mix of 43 metabolites and 12 stable isotope-labeled standards. Lower limits of quantification for GC-APCI-TOFMS ranged between 0.06 and 7.81 mu M, and relative standard deviations for calibration replicates were between 0.4% and 8.7%. For all compounds and techniques, except in four cases, R-2 values were above 0.99. Regarding limits of quantification, GC-APCI-TOFMS was inferior to only GC x GC-EI-TOFMS, but outperformed all other techniques tested. GC-APCI-TOFMS was further applied to the metabolic fingerprinting of two Escherichia coli strains. Of 45 features that differed significantly (false discovery rate < 0.05) between the strains, 25 metabolites were identified through highly accurate and reproducible (Delta m +/- SD below 5 mDa over m/z 190-722) mass measurements. Starting from the quasimolecular ion, six additional metabolites were identified that had not been found in a previous study using GC x GC-EI-TOFMS and an EI mass spectral library for identification purposes. Silylation adducts formed in the APCI source assisted the identification of unknown compounds, as their formation is structure-dependent and is not observed for compounds lacking a carboxylic group.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELEMENTAL COMPOSITIONS; ION-SOURCE; GC-MS; IDENTIFICATION; |
| Subjects: | 600 Technology > 610 Medical sciences Medicine |
| Divisions: | Medicine > Lehrstuhl für Anästhesiologie Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner) |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 28 May 2020 09:52 |
| Last Modified: | 28 May 2020 09:52 |
| URI: | https://pred.uni-regensburg.de/id/eprint/20053 |
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