New Approach to Processing of Gas Chromatographic/Mass Spectrometric Data for Detection of Off Flavors in Complex Mixtures

1995 ◽  
Vol 78 (6) ◽  
pp. 1429-1434 ◽  
Author(s):  
Laurent B Fay ◽  
Andreas A Staempfli
Keyword(s):  
Chemical Compounds ◽  
Mass Range ◽  
Mass Spectrometric ◽  
Simple Method ◽  
New Approach ◽  
Spectrometric Data ◽  
Off Flavors ◽  
Low Levels ◽  
Chromatographic Instrument ◽  
Chromatographic Mass

Abstract Chemical compounds responsible for off flavors in foodstuffs are often difficult to identify because of their low levels in complex matrixes. A simple method is described to detect and identify off flavor compounds by gas chromatographic/mass spectrometric (GC/MS) analysis and data processing for sorting the GC/MS files in 14-ion series. The 14 homologous-ion series correspond to the sum of the intensities of the ions, x + (CH2)n, where x varies from 1 to 14 and n varies from 1 to ∞, allowing to cover the whole acquired mass range. Processing of the ion series allows automatic screening of all acquired masses. We use this method routinely in our laboratory to find compounds responsible for a contamination. It is a powerful tool for off flavor identification by comparison between a reference and a contaminated sample. The method can be used with any type of data system and any chromatographic instrument coupled to a mass spectrometer.

Gas-Liquid Chromatographic-Mass Spectrometric Confirmation of Endosulfan and Endosulfan Sulfate in Apples and Carrots

1981 ◽  
Vol 64 (5) ◽  
pp. 1208-1210
Author(s):  
Perry S Wilkes
Keyword(s):  
Mass Spectra ◽  
Chemical Ionization ◽  
Mass Range ◽  
Mass Spectrometric ◽  
Chromatographic Retention ◽  
Gas Liquid Chromatography ◽  
Endosulfan Sulfate ◽  
Gasliquid Chromatography ◽  
Liquid Chromatographic ◽  
Chromatographic Mass

Abstract A gas-liquid chromatography-mass spectrometric (GLC-MS) procedure is described for the confirmation of endosulfan I, endosulfan II, and endosulfan sulfate in apples and carrots. After extraction, cleanup, and determination by electron capture gasliquid chromatography using current AOAC methodology, residues are confirmed by GLC-MS. The chemical ionization (CI) mode is used with methane as a reagent gas. Each residue is confirmed by a scan of only 4 regions of its mass spectrum rather than the full mass range. The 4 mass regions for the 2 endosulfan isomers are 274-280, 340-346, 368-374, and 404-412 atomic mass units (amu). For endosulfan sulfate, the mass regions are 286-294, 322-330, 384-392, and 420-428 amu. Four ions and their chlorine isotopic distributions are detected for each compound by this scanning technique. This method was developed by using carrots and apples to which had been added 0.1 ppm (50% of the current legal tolerance on carrots) of each of the 3 pesticides. The gas chromatographic retention times and the mass spectra of the 4 mass regions specified for the 3 pesticides were compared to those of reference standards injected under identical GLC-MS conditions and were used as the basis for confirming identity of the 3 compounds.

Feature detection and alignment of hyphenated chromatographic–mass spectrometric data

2008 ◽  
Vol 1192 (1) ◽  
pp. 139-146 ◽  
Author(s):  
K. Magnus Åberg ◽  
Ralf J.O. Torgrip ◽  
Johan Kolmert ◽  
Ina Schuppe-Koistinen ◽  
Johan Lindberg
Keyword(s):  
Feature Detection ◽  
Mass Spectrometric ◽  
Mass Spectrometric Data ◽  
Spectrometric Data ◽  
Chromatographic Mass

Identification of Chemical Compound of Dammar Resin Using Various Solvents with Gas Chromatographic–Mass Spectrometric Method

2014 ◽  
Vol 695 ◽  
pp. 211-215
Author(s):  
Jamal ◽  
I.N.G. Wardana ◽  
Nurkholis Hamidi ◽  
Denny Widyanuriawan
Keyword(s):  
Chemical Compound ◽  
Chemical Compounds ◽  
Alternative Fuel ◽  
Mass Spectrometric ◽  
Spectrometric Method ◽  
Mass Spectrometric Method ◽  
Analysis Method ◽  
Renewable Fuel ◽  
Chromatographic Mass

This research is aimed to indentify the chemical compounds in Dammar resin. By identifying the chemical compounds in Dammar resin, it can be utilized optimally and the possibility of using it as alternative fuel can be recognized. This research will be carried out using analysis method of Gas Chromatographic-Mass Spectrometric. In the first experiment, Dammar resin is dissolved in CHCl3, C6H14, CH3COOH and CH3OH. From the experiment, it was detected about 32 and 25 chemical compounds when using CHCl3 and C6H14 respectively. Meanwhile, there were 17 and 15 chemical compounds detected when using CH3COOH and CH3OH respectively. Applying these various solvents giving different results but fit out each others. In conclusion, Dammar resin has a promising potency to be developed as alternative renewable fuel energy.

Gas-Solid Chromatographic-Mass Spectrometric Confirmation of Low Levels of Acrylonitrile After Distillation from Food-Simulating Solvents

1979 ◽  
Vol 62 (1) ◽  
pp. 41-46
Author(s):  
Timothy McNeal ◽  
William C Brumley ◽  
Charles Breder ◽  
James A Sphon
Keyword(s):  
Mass Spectrometry ◽  
Acetic Acid ◽  
Mass Spectrometric ◽  
Methanolic Solution ◽  
Styrene Acrylonitrile ◽  
Low Levels ◽  
Multiple Ion Monitoring ◽  
Chromatographic Mass

Abstract Acrylonitrile (AN) in aqueous food-simulating solvents is concentrated by adding methanol and distilling the AN-methanol azeotrope. AN in heptane is partitioned into water and azeotropically distilled with methanol. This procedure concentrates approximately 30% of the An in 0.5 ml methanolic solution. The concentrate obtained is analyzed by gas-solid chromatography (GSC) and the presence of AN is confirmed by GSC-mass spectrometry, using multiple ion monitoring of ions at m/z 53, 52, 51, and 26. Levels as low as 0.01 ppm AN in the original food-simulating solvents can be confirmed. The migration of AN into 8% ethanol and 3% acetic acid contained in styrene-acrylonitrile bottles has been confirmed by using this method.

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