Determination of urinary acylcarnitines by ESI-MS coupled with solid-phase microextraction (SPME)

Möder, Monika; Löster, Heinz; Herzschuh, Rainer; Popp, Peter

doi:10.1002/(sici)1096-9888(199711)32:11<1195::aid-jms578>3.0.co;2-9

Cited by 43 publications

(23 citation statements)

References 6 publications

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“…Approximately 150 spectra of different libraries of compounds were studied. The following groups of molecules were investigated: sulfonamides,20–36 benzimidazoles,37–48 carnitines,49–54 amphetamines,55–60 amino acids,61–80 and purines 81–83. It was observed that each of the above groups produced specific fragment ions and neutral mass losses, depending on the functional groups present in the molecules.…”

Section: Resultsmentioning

confidence: 99%

Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non‐peptidic combinatorial compounds

Klagkou

Pullen

Harrison

et al. 2003

Rapid Comm Mass Spectrometry

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Combinatorial chemistry is widely used within the pharmaceutical industry as a means of rapid identification of potential drugs. With the growth of combinatorial libraries, mass spectrometry (MS) became the key analytical technique because of its speed of analysis, sensitivity, accuracy and ability to be coupled with other analytical techniques. In the majority of cases, electrospray mass spectrometry (ES-MS) has become the default ionisation technique. However, due to the absence of fragment ions in the resulting spectra, tandem mass spectrometry (MS/MS) is required to provide structural information for the identification of an unknown analyte. This work discusses the first steps of an investigation into the fragmentation pathways taking place in electrospray tandem mass spectrometry. The ultimate goal for this project is to set general fragmentation rules for non-peptidic, pharmaceutical, combinatorial compounds. As an aid, an artificial intelligence (AI) software package is used to facilitate interpretation of the spectra. This initial study has focused on determining the fragmentation rules for some classes of compound types that fit the remit as outlined above. Based on studies carried out on several combinatorial libraries of these compounds, it was established that different classes of drug molecules follow unique fragmentation pathways. In addition to these general observations, the specific ionisation processes and the fragmentation pathways involved in the electrospray mass spectra of these systems were explored. The ultimate goal will be to incorporate our findings into the computer program and allow identification of an unknown, non-peptidic compound following insertion of its ES-MS/MS spectrum into the AI package. The work herein demonstrates the potential benefit of such an approach in addressing the issue of high-throughput, automated MS/MS data interpretation.

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Section: Resultsmentioning

confidence: 99%

Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non‐peptidic combinatorial compounds

Klagkou

Pullen

Harrison

et al. 2003

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

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“…More evaluation parameters concerning the determination of acylcarnitines by FIA-ESI-MS have been reported previously [15]. The results of this method evaluation were the basis for the interpretation of all MS values determined.…”

Section: Resultsmentioning

confidence: 83%

“…The influence of solvent and matrix accompanying the target analytes has been discussed previously [15]. Despite ion-suppressing effects of the urine matrix the typical target ions can be detected; Fig.…”

Section: Resultsmentioning

confidence: 99%

The pattern of urinary acylcarnitines determined by electrospray mass spectrometry: a new tool in the diagnosis of diabetes mellitus

et al. 2003

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l-Carnitine and its esters are products of intermediary metabolism of organisms. The distribution pattern or the favored excretion of individual acylcarnitines tells something about metabolic diseases. The determination of the urinary acylcarnitine pattern by flow injection analysis (FIA)-electrospray ionization (ESI)-mass spectrometry (MS) is presented. Groups of healthy probands and patients suffering from diabetes mellitus were investigated due to their significant acylcarnitine profile. The statistical analysis of data sets obtained clearly shows a difference in the acylcarnitine pattern of healthy and sick probands. In comparison to the controls, diabetes mellitus patients excrete more long-chain carnitine esters ranging from dodecanoyl to palmitoylcarnitine. Thus, the urinary acylcarnitine pattern determined by ESI-MS can be a useful tool in the diagnosis and therapy monitoring of diabetes mellitus.

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“…By combination Fig. 1 Procedure of extraction by fiber SPME and desorption for GC and HPLC analyses with HPLC [29,30,31,32,33,34,35,36,37,38,39,40,41,42] and LC-MS [43,43,44,45,46,47,48,49], it has been applied to the analysis of various polar compounds such as drugs and pesticides. These SPME methods are based on the adsorption of compounds by the liquid phase coated on the surface of the fiber.…”

Section: Hiroyuki Kataokamentioning

confidence: 99%

Automated sample preparation using in-tube solid-phase microextraction and its application – a review

Kataoka

2002

Anal Bioanal Chem

267

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Sample preparation, such as extraction, concentration, and isolation of analytes, greatly influences their reliable and accurate analysis. In-tube solid-phase microextraction (SPME) is a new effective sample preparation technique using an open tubular fused-silica capillary column as an extraction device. Organic compounds in aqueous samples are directly extracted and concentrated into the stationary phase of capillary columns by repeated draw/eject cycles of sample solution, and they can be directly transferred to the liquid chromatographic column. In-tube SPME is an ideal sample preparation technique because it is fast to operate, easy to automate, solvent-free, and inexpensive. On-line in-tube SPME-performed continuous extraction, concentration, desorption, and injection using an autosampler, is usually used in combination with high performance liquid chromatography and liquid chromatography-mass spectrometry. This technique has successfully been applied to the determination of various compounds such as pesticides, drugs, environmental pollutants, and food contaminants. In this review, an overview of the development of in-tube SPME technique and its applications to environmental, clinical, forensic, and food analyses are described.

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Determination of urinary acylcarnitines by ESI-MS coupled with solid-phase microextraction (SPME)

Cited by 43 publications

References 6 publications

Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non‐peptidic combinatorial compounds

Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non‐peptidic combinatorial compounds

The pattern of urinary acylcarnitines determined by electrospray mass spectrometry: a new tool in the diagnosis of diabetes mellitus

Automated sample preparation using in-tube solid-phase microextraction and its application – a review

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