Tandem mass spectrometry metabolites

Castiglioni S, Zuccato E, Crisci E, Chiabrando C, Fanelly R, Bagnati R (2006) Identification and measurement of illicit drugs and their metabolites in urban wastewater by liquid chromatography-tandem mass spectrometry. Anal Chem 78 8421-8429... 

Bijlsma L, Sancho JV, Pitarch E, Ibanez M, Hernandez F (2009) Simultaneous ultra-high-pressure liquid chromatography-tandem mass spectrometry determination of amphetamine and amphetamine-like stimulants, cocaine and its metabolites, and a cannabis metabolite in surface water and urban wastewater. J Chromatogr A 1216(15) 3078-3089... 

Figure 5.40 Product-ion spectrum of the (M + H)+ ion (m/z 614) of Indinavir with the proposed origins of the ions observed. Reprinted by permission of Elsevier Science from Identification of in vitro metabolites of Indinavir by Intelligent Automated LC-MS/MS (INTAMS) utilizing triple-quadrupole tandem mass spectrometry , by Yu, X., Cui, D. and Davis, M. R., Journal of the American Society for Mass Spectrometry, Vol. 10, pp. 175-183, Copyright 1999 by the American Society for Mass Spectrometry.

Vidal JEM, Arrebola PJ, Pemandez-Gufierrez A, et al. 1998. Determination of endosulfan and its metabolites in human urine using gas chromatography-tandem mass spectrometry. J Chromatogr 719 71-78. 

Anari MR, Baillie TA. Bridging cheminformatic metabolite prediction and tandem mass spectrometry. Drug Discov Today 2005 10 711-7. 

Li L et al. (2006) Liquid chromatography-tandem mass spectrometry for the identification of L-tetrahydropalmatine metabolites in Penicillium janthinellum and rats. Biomed Chromatogr 20(1) 95-100... 

More recently, liquid chromatography/mass spectrometry (LC/MS) and liquid chromatography/tandem mass spectrometry (LC/MS/MS) have been evaluated as possible alternative methods for carfentrazone-ethyl compounds in crop matrices. The LC/MS methods allow the chemical derivatization step for the acid metabolites to be avoided, reducing the analysis time. These new methods provide excellent sensitivity and method recovery for carfentrazone-ethyl. However, the final sample extracts, after being cleaned up extensively using three SPE cartridges, still exhibited ionization suppression due to the matrix background for the acid metabolites. Acceptable method recoveries (70-120%) of carfentrazone-ethyl metabolites have not yet been obtained. 

Ethylenethiourea (ETU) is a toxic decomposition product/metabolite of alky-lenebis(dithiocarbamates). This compound could be generated during processing of treated crops at elevated temperature. Different chromatographic methods to determine the residue levels of ETU have been published. After extraction with methanol, clean-up on a Gas-Chrom S/alumina column and derivatization (alkylation) with bro-mobutane, ETU residues can be determined by GC with a flame photometric detector in the sulfur mode. Alternatively, ETU residues can also be determined by an HPLC method with UV detection at 240 nm or by liquid chromatography/mass spectrometry (LC/MS) or liquid chromatography/tandem mass spectrometry (LC/MS/MS) (molecular ion m/z 103). ... 

Dear, G.J., Fraser, I.J., Patel, D.K., Long, J., and Pleasance, S., Use of liquid chromatography-tandem mass spectrometry for the quantitative and qualitative analysis of an antipsychotic agent and its metabolites in human plasma and urine, /. Chromatogr. A, 794, 27, 1998. 

Schroder, H.E (2003). Determination of fluorinated surfactants and their metabolites in sewage sludge samples by liquid chromatography with mass spectrometry and tandem mass spectrometry after pressurized liquid extraction and separation on fluorine-modified reversed-phase sorbents. J. Chromatogr. A 1020(1), 131-151. 

Urpi-Sarda M, Jauregui O, Lamuela-Raventos RM, Jaeger W, Miksits M, Covas MI and Andres-Lacueva C. 2005. Uptake of diet resveratrol into the human low-density lipoprotein. Identification and quantification of resveratrol metabolites by liquid chromatography coupled with tandem mass spectrometry. Anal Chem 77(10) 3149—3155. 

The analyses of illicit drugs and metabolites in the sampled waters were performed following a previously described and validated fully automated method based on on-line solid phase extraction-liquid chromatography-tandem mass spectrometry (on-line SPE-LC-MS/MS) [19]. 

Gheorghe A, Van Nuijs A, Pecceu B, Bervoets L, Jorens PG, Blust R, Neels H, Covaci A (2008) Analysis of cocaine and its principal metabolites in waste and surface water using solid-phase extraction and liquid chromatography-ion trap tandem mass spectrometry. Anal Bioanal Chem 391 1309-1319... 

Canezin J, Cailleux A, Turcant A, Le Bouil A, Harry P, Allain P (2001) Determination of LSD and its metabolites in human biological fluids by high-performance liquid chromatography with electrospray tandem mass spectrometry. J Chromatogr B Biomed Sci Appl 765 15-27... 

Multiple mass analyzers exist that can perform tandem mass spectrometry. Some use a tandem-in-space configuration, such as the triple quadrupole mass analyzers illustrated (Fig.3.9). Others use a tandem-in-time configuration and include instruments such as ion-traps (ITMS) and Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS or FTMS). A triple quadrupole mass spectrometer can only perform the tandem process once for an isolated precursor ion (e.g., MS/MS), but trapping or tandem-in-time instruments can perform repetitive tandem mass spectrometry (MS ), thus adding n 1 degrees of structural characterization and elucidation. When an ion-trap is combined with HPLC and photodiode array detection, the net result is a profiling tool that is a powerful tool for both metabolite profiling and metabolite identification. 

Davies, I.D., Allanson, J.P., and Causon, R.C. 1999. Rapid determination of the anti-cancer drug chlorambucil (Leukeran) and its phenyl acetic acid mustard metabolite in human serum and plasma by automated solid-phase extraction and liquid chromatography-tandem mass spectrometry. J. Chrom-matogr. B. 732 173. 

Tang, W. and Abbott, F.S. 1996. Characterization of thiol-conjugated metabolites of 2-propylpent-4-enoic acid (4-ene VPA), a toxic metabolite of valproic acid, by electrospray tandem mass spectrometry. J. Mass Spectrom. 31 926. 

Yan, Z. et al. 2005. Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry. Rapid Commun. Mass Spectrom. 19 3322. 

Hernandez F. et al., 2001. Rapid direct determination of pesticides and metabolites in environmental water samples at sub-/tg/L level by online solid-phase extraction-liquid chromatography-electrospray tandem mass spectrometry. J Chromatogr A 939 1. 

Kato K. et al., 2005. Determination of 16 phthalate metabolites in urine using automated sample preparation and onhne preconcentration/high-performance liquid chromatography/tandem mass spectrometry. Anal Chem 77 2985. 

Zang X. et al., 2005. A novel online solid-phase extraction approach integrated with a monolithic column and tandem mass spectrometry for direct plasma analysis of multiple drugs and metabolites. Rapid Commun Mass Spectrom 19 3259. 

Zell M., Husser C., and Hopfgartner G., 1997b. Column-switching high-performance liquid chromatography combined with ionspray tandem mass spectrometry for the simultaneous determination of the platelet inhibitor Ro 44-3888 and its pro-drug and precursor metabolite in plasma. J Mass Spectrom 32 23. 

As a consequence, for unequivocal identification of the constituents of complex mixtures found in surfactant blends and also in the analyses of surfactants and their metabolites in environmental samples, MS and tandem mass spectrometry (MS-MS) have proved to be more advantageous and are discussed thoroughly in Chapter 2. To optimise the output of reliable results and to save manpower and time certain procedures in sample preconcentration, clean-up and separation prior to MS examinations are inevitable. These are discussed in the present book in more detail in Chapter 3. 

H.Fr. Schroder, Determination of Fluorinated Surfactants and their Metabolites in Sewage Sludge Samples by Liquid Chromatography-Mass Spectrometry and -Tandem Mass Spectrometry after Pressurised Solvent Extraction and Separation on Fluorine Modified RP-Phases, J. Chromatogr. A, in press. 

Dear G. Plumb R. Mallet D. Use of monolithic silica columns to increase analytical throughput for metabolite identification by liquid chromatography/tandem mass spectrometry. Rapid Communications in Mass Spectrometry, 2001, 15, 152-158. 

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