Predicting chromatographic retention time of C10-chlorinated paraffins in gas chromatography-mass spectrometry using quantitative structure retention relationship

2015 ◽  
Vol 31 (2) ◽  
pp. 192-197 ◽  
Author(s):  
Zhenzhen Xia ◽  
Wensheng Cai ◽  
Xueguang Shao
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Retention Time ◽  
Gas Chromatography Mass Spectrometry ◽  
Chromatographic Retention ◽  
Quantitative Structure ◽  
Chromatography Mass Spectrometry ◽  
Chlorinated Paraffins ◽  
Structure Retention ◽  
Quantitative Structure Retention Relationship

Irace Level Detection of Chlorinated Paraffins in Biological and Environmental Samples, Using Gas Chromatography/Mass Spectrometry with Negative-Ion Chemical Ionization

1985 ◽  
Vol 68 (3) ◽  
pp. 427-430
Author(s):  
Peter P Schmid ◽  
Markus D Muller
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Environmental Samples ◽  
Chemical Ionization ◽  
Negative Ion ◽  
Gas Chromatography Mass Spectrometry ◽  
Chromatography Mass Spectrometry ◽  
Biological And Environmental Samples ◽  
Chlorinated Paraffins ◽  
Negative Ion Chemical Ionization

Abstract A method is described for detection of chlorinated paraffins (CPs) in biological and environmental samples. Sample preparation includes sulfuric acid treatment followed by adsorption chromatography on ilumina, which yields the CPs in one fraction that is almost free of interfering material. Using gas chromatography/mass spectrometry j with negative-ion chemical ionization, the limit of detection is 5 ng (corresponding to the lower ppb range). CP levels of 30 ppm, 200 ppb, ' and 5 ppb were found in sewage sludge, human fat, and sediment, respectively.

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 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

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