Interactive Pattern Recognition in the Chemical Analysis Laboratory

Wilkins, Charles L.

doi:10.1021/ci60012a016

Cited by 14 publications

(3 citation statements)

References 7 publications

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“…[3][4][5][6] Shortly after these studies were published, commercially available GC/FT-IR accessories based on the optimized light pipe (LP) design were introduced by Digilab and Nicolet. The first formal plans for an integrated GC/FT-IR/MS instrument consisting of a LP IR interface were reported by Wilkins et al 7 in 1977 and the first direct link GC/FT-IR/MS instrument based on this design was later described by the same group in 1981. 8 A number of publications successfully improved chromatographic, IR, and MS performance for a wide variety of samples using GC/FT-IR/MS instruments based on the LP configuration.…”

Section: Introductionmentioning

confidence: 99%

Simultaneous Orthogonal Drug Detection Using Fully Integrated Gas Chromatography with Fourier Transform Infrared Detection and Mass Spectrometric Detection

Lanzarotta¹,

Falconer²,

McCauley³

et al. 2016

Appl Spectrosc

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Analytes that co-elute and yield nearly identical electron ionization (EI) mass spectra, as well as analytes that yield non-specific EI fragmentation patterns, have been identified using fully integrated gas chromatography with direct deposit Fourier transform infrared detection and mass spectrometric detection (GC/FT-IR/MS). While the IR detector proved to be more selective for identifying analytes such as synthetic cannabinoids and weight loss drugs, it was limited by a relatively high detection limit of 8.4 parts per million (ppm) for non-targeted identification of sibutramine based on a single injection but was reduced to 840 parts per billion (ppb) for targeted identification of sibutramine by redepositing ten injections along the same track. The MS detector was less selective for identifying these analytes but yielded non-targeted and targeted detection limits of approximately 84 ppb and 8.4 ppb, respectively, which corresponded to a 100-fold advantage compared to the IR detector. Overall, the results of this study demonstrate that the advantages of each detector compensate for the limitations of the other, which allows a wider range of analytes and concentrations to be examined using a fully integrated GC/FT-IR/MS instrument compared to what can be examined using GC/IR or GC/MS independently. Not only does this approach reduce consumption of laboratory resources and time, it provides IR and MS information on the same sample, which is important for forensic analyses that require data from two or more orthogonal techniques to make an identification.

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Section: Introductionmentioning

confidence: 99%

Simultaneous Orthogonal Drug Detection Using Fully Integrated Gas Chromatography with Fourier Transform Infrared Detection and Mass Spectrometric Detection

Lanzarotta¹,

Falconer²,

McCauley³

et al. 2016

Appl Spectrosc

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show abstract

“…CI chemical ionization data for reduction of search list (see Reference 25). 6 If there is no coincidence of library search hits (IR/MS), or if the best match is AMM or CI data, no identification is made.…”

Section: Lower Cost Gc/ir/msmentioning

confidence: 99%

“…It appears that the first formal plans for an integrated GC/FT-IR/MS system were presented late in 1976 at a conference in Washington, D.C., and subsequently were published (6). The use of a high-performance sector mass spectrometer (Kratos MS-5076) and a commercial dual-beam GC/FT-IR spectrometer (Spectrotherm ST-10, subsequently withdrawn from the market) was proposed.…”

Section: Introductionmentioning

confidence: 99%

Linked Gas Chromatography Infrared Mass Spectrometry

Wilkins¹

1987

Anal. Chem.

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Directly‐Linked Gas Chromatography–Infrared–Mass Spectrometry (GC/IR/MS)

Wilkins¹

2001

Handbook of Vibrational Spectroscopy

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Directly linked gas chromatography‐infrared‐mass spectrometry (GC/IR/MS) is well established as a technique that fills a unique niche in the field of complex mixture analysis and structure elucidation. Although the method is not well suited for trace analysis, it has proved especially useful for analytical applications that are not sample limited. Commercial analysis systems based on this approach have gained acceptance and it is expected that continuing advances in the fields of chromatography and spectral detection will lead to improved GC/IR/MS systems in the future. This article reviews the history of GC/IR/MS development and briefly surveys the various approaches including lightpipe and matrix isolation methods. The use of complementary information is stressed and multidimensional GC/IR/MS discussed. Examples of applications include flavor and fragrance analysis, isomer identification, and pyrolysis product identification.

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Interactive Pattern Recognition in the Chemical Analysis Laboratory

Cited by 14 publications

References 7 publications

Simultaneous Orthogonal Drug Detection Using Fully Integrated Gas Chromatography with Fourier Transform Infrared Detection and Mass Spectrometric Detection

Simultaneous Orthogonal Drug Detection Using Fully Integrated Gas Chromatography with Fourier Transform Infrared Detection and Mass Spectrometric Detection

Linked Gas Chromatography Infrared Mass Spectrometry

Directly‐Linked Gas Chromatography–Infrared–Mass Spectrometry (GC/IR/MS)

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