scholarly journals R2DGC: Threshold-free peak alignment and identification for 2D gas chromatography mass spectrometry in R

2017 ◽  
Author(s):  
Ryne C. Ramaker ◽  
Emily Gordon ◽  
Sara J. Cooper
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Retention Time ◽  
R Package ◽  
Downstream Processing ◽  
Supplementary Information ◽  
Gas Chromatography Mass Spectrometry ◽  
Chromatography Mass Spectrometry ◽  
Time Standards ◽  
Multiple Samples

AbstractSummaryComprehensive two dimensional gas chromatography-mass spectrometry is a powerful method for analyzing complex mixtures of volatile compounds. This method produces a large amount of raw data that requires downstream processing to align signals of interest (peaks) across multiple samples and match peak characteristics to reference standard libraries prior to downstream statistical analysis. To address the paucity of applications addressing this need, we have developed an R package that implements retention time and mass spectra similarity threshold-free alignments, seamlessly integrates retention time standards for universally reproducible alignments, performs common ion filtering, and provides compatibility with multiple peak quantification methods. We demonstrate the packages utility on a controlled mix of metabolite standards separated under variable chromatography conditions and data generated from cell lines.Availability and documentationR2DGC can be downloaded at https://github.com/rramaker/R2DGC or installed via the Comprehensive R Archive Network (CRAN)[email protected] informationSupplementary data are available at Bioinformatics online.

scholarly journals RGCxGC toolbox: An R-package for data processing in comprehensive two-dimensional gas chromatography-mass spectrometry

2020 ◽  
Vol 156 ◽  
pp. 104830 ◽  
Author(s):  
Cristian Quiroz-Moreno ◽  
Mayra Fontes Furlan ◽  
João Raul Belinato ◽  
Fabio Augusto ◽  
Guilherme L. Alexandrino ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Data Processing ◽  
R Package ◽  
Gas Chromatography Mass Spectrometry ◽  
Two Dimensional ◽  
Chromatography Mass Spectrometry

scholarly journals GC-MS analysis of bioactive compounds from Freshwater mussels of Parreysia corrugata (Muller 1774) and their pharmacological activities

2019 ◽  
Vol 9 (4-A) ◽  
pp. 155-158
Author(s):  
N. Santhiya ◽  
M. Ramasamy
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Retention Time ◽  
Mass Spectra ◽  
Freshwater Mussels ◽  
Volatile Matter ◽  
Gas Chromatography Mass Spectrometry ◽  
Chromatography Mass Spectrometry ◽  
Ms Analysis ◽  
Branched Chain

GC-MS is one of the best techniques to identify the constituents of volatile matter, long chain, branched chain hydrocarbons, alcohols acids, esters etc. The freshwater mussels Parreysia corrugata was analyzed using Gas Chromatography–Mass Spectrometry, while the mass spectra of the compounds found in the extract was matched with the National Institute of Standards and Technology (NIST) library. Gas chromatography mass spectrometry (GC-MS) analysis revealed the presence of 26 compounds. The compounds were identified by comparing their retention time and peak area with that of literature and by interpretation of mass spectra. The first compound identified with less retention time (30.236 min) was 2,6-Difluorobenzoic acid, tridec-2-ynyl ester, whereas gamma.-Tocopherol was the last compound which took longest retention time (29.84min) to identify. Many of them are used in industry for various applications like flavor, antioxidant, anti-inflammatory, antimicrobial, pesticide and cancer preventive. Keywords: Freshwater mussels, Parreysia corrugata, GC-MS, Bioactive components

scholarly journals Estimating the Rate of Azithromycin Degradation Due to Increasing Temperature for Three Drug types by Spectrophotometer (UV) and Gas Chromatography-Mass Spectrometry (GC-MS)

2021 ◽  
Vol 37 (2) ◽  
pp. 368-373
Author(s):  
Maha Abdallah Alnuwaiser
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Chemical Composition ◽  
Active Ingredient ◽  
Retention Time ◽  
Bacterial Infections ◽  
Dosage Forms ◽  
Gas Chromatography Mass Spectrometry ◽  
Chromatography Mass Spectrometry ◽  
Ultraviolet Spectrometer

Azithromycin is a board antibiotic that affects various gram-positive and negative bacteria, so azithromycin is used for the treatment different of bacterial infections, as well as used azithromycin as a prophylactics antibiotic after different surgery. Azithromycin is used for children and adults, so it is available in pharmacies in different dosage forms like capsules, tablets, powder for reconstituting for oral administration. The aims of the present research is to assess the azithromycin stability from different available dosage forms (bioequivalence study) against temperature in hot climate country (Saudi Arabi). Three samples in the form of three drugs in which Azithromycin acts as an active ingredient were prepared and exposed to heat. These drugs are Azithromycin® 250 mg, Az-1® 250 mg,andZirox® 250 mg. Three spectral techniques were used to study the change in concentration and chemical composition when the temperature is raised from 27Co to 60Co the spectrometers used are ultraviolet spectrometer and Gas Chromatography-Mass Spectrometry. The temperature of the three drugs was raised from 27Co to 60Co inside the water path. The ultraviolet spectrometer shows considerable degradation in Azithromycin concentration by raised the temperature from 27Co to 60Co, but the other two drugs are not affected appreciably by heating.The results obtained using the retention time technique of gas chromatography, show a change of the retention time to be (20.308- 20.396 -20.350) for Azithromycin®, Az-1®, and Zirox®scanned, respectively. This change may result from the difference in the matrix chemical composition of each drug. The mass spectrometry results show that rising temperature to 60Co district the chemical bond of the active ingredient to be decomposed to five compounds having M/Z (43-72-99-158-198), respectively.

Sign in / Sign up

Export Citation Format

Share Document