Quadrupole mass spectrometry characterization

Mullen, W., Lean, M.E.J., and Crozier, A., Rapid characterization of anthocyanins in red raspberry fruit by high-performance liquid chromatography coupled to single quadrupole mass spectrometry, J. Chromatogr. A, 966, 63, 2002. 

JL Josephs. Detection and characterization of fumonisin mycotoxins by liquid chromatography/elec-trospray ionisation using ion trap and triple quadrupole mass spectrometry. Rapid Commun Mass Spectrom 10(11) 1333-1344, 1996. 

In principle, all powerful element-specific methods that are able to monitor continuously the effluents of separation processes commonly in the range of a few mimin-1 and in element concentrations of some Klpg liter-1. A well-suited method is based on modern element-specific quadrupole mass spectrometry (MS) with an inductively coupled plasma (ICP) interface to the separation unit [e.g., liquid chromatography (LC) or field-flow fractionation (FFF)].Tlie ICP-MS detection can also be used for continuously characterizing the effluent of any kind of packed column (Metreveli and Frimmel, 2007). By this, the transport and elution properties of... 

Garrido-Frenich, A., Romero-Gonzdlez, R., Martmez- dal, J.L., Plaza-Bolanos, R, Cuadros-Rodrfguez, L., Herrera-Abdo, M.A. (2006) Characterization of recovery profiles using gas chromatography-triple quadrupole mass spectrometry for the determination of pesticide residues in meat samples. Journal of Chromatography A, 1133, 315-321. 

Hsu, F.-F., Turk, J., Thukkani, A.K., Messner, M.C., Wildsmith, K.R. and Ford, DA. (2003) Characterization of alkylacyl, ahc-l-enylacyl and lyso subclasses of gfycerophos-phocholine by tandem quadrupole mass spectrometry with electrospray ionizahon. J. Mass... 

Moe, M.K., Anderssen, T., Strom, M.B. and Jensen, E. (2004) Vicinal hydroxylation of unsaturated fatty acids for structural characterization of intact neutral phospholipids by negative electrospray ionization tandem quadrupole mass spectrometry. Rapid Commun. Mass Spectrom. 18, 2121-2130. 

Balarama Krishna, M.V., Shekhar, R., Karunasagar, D., and Arunachalam, J. (2000). Multielement characterization of high purity cadmium using inductively coupled plasma quadrupole mass spectrometry and glow-discharge quadrupole mass spectrometry. Anal. CWm./lrtfl 408(1), 199. 

Tandem mass spectrometry (MS-MS) uses more than one mass analyzer for structural and sequencing studies that have been found very useful for anthocyanin characterization. These mass analyzers may be of the same type (triple or quadru-poie)85,86 Qj. such as ion trap quadrupole, - and quadrupole-time-of-flight... 

Kuehn, A.V., Neubert, R.H.H. (2004). Characterization of mixtures of alkyl polyglycosides (plantacare). by liquid chromatography-electrospray ionization quadrupole time-of-flight mass spectrometry. Pharm. Res. 21(12), 2347-2353. 

Y. Ma, Y. Lu, H. Zeng, D. Ron, W. Mo, T. A. Neubert, Characterization of phosphopeptides from protein digests using matrix assisted laser desorption/ionization time of flight mass spectra metry and nanoelectrospray quadrupole time of flight mass spectrometry, Rapid Commun. Mass Spectrom., 15, 1693 1700 (2001). 

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. 

Zamfir A, Seidler DC, Kresse H, Peter-Katalinic J. 2002. Structural characterization of chondroitin/dermatin sulfate oligosaccharides from bovine aorta by capillary electrophoresis and electrospray ionization quadrupole time-of-flight tandem mass spectrometry. Rapid Commun Mass Spectrom 16 2015. 

Bhandari P, Kumar N, Singh B, Ahuja PS. Online HPFC-DPPH method for antioxidant achvity of Picrorhiza kurroa Royle ex Benth. and characterization of kutkoside by Ultra-Performance FC-elechospray ionizahon quadrupole ttme-of-flight mass spectrometry. Indian Journal of Experimental Biology. 2010 48 323-328. 

Superior sensitivity, efficiency, and specificity have made high-performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS), the predominant analytical technique for characterization and quantitative analysis of metabolites (Kostiainen et al., 2003 Ma et al., 2006 Prakash et al., 2007). Ion trap, triple-quadrupole, and quadmpole time-of-flight (Q-TOF) mass spectrometers are routinely used to profile and characterize metabolites in plasma and excreta (Ma et al., 2006). The combination of scan types and features available on mass spectrometers of different design (product ion, MS", neutral loss, precursor ion scans, accurate mass measurements) allows identification and characterization of putative and unexpected metabolites with or without little prior knowledge of biotransformation pathways of a given dmg molecule. 

A. S. Weiskopf, P. Vouros, and D. J. Harvey, Characterization of oligosaccharide composition and structure by quadrupole ion trap mass spectrometry, Rapid Commun. Mass Spectrom., 11 (1998) 1493-1504. 

In recent years the application of electrospray ionization (ESI) mass spectrometry, quadrupole time-of-flight (QqTOF) mass spectrometry, and Fourier transform ion cyclotron resonance (FT-ICR) are used for further structural characterization of DOM (Kujawinski et al., 2002 Kim et al., 2003 Stenson et al., 2003 Koch et al., 2005 Tremblay et al., 2007 Reemtsma et al., 2008). MS/MS capabilities provide the screening for selected ions, and FT-ICR allows exact molecular formula determination for selected peaks. In addition, SEC can be coupled to ESI and FTICR-MS to study different DOM fractions. Homologous series of structures can be revealed, and many pairs of peaks differ by the exact masses of -H2, -O, or -CH2. Several thousand molecular formulas in the mass range of up to more than 600 Da can be identified and reproduced in element ratio plots (O/C versus H/C plots). Limitations of ESI used by SEC-MS are shown by These and Reemtsma (2003). 

Blackburn, R. K. Moseley, M. A. Ill 1999. Quadrupole time-of-flight mass spectrometry a powerful new tool for protein identification and characterization. Am. Pharm. Rev., 2, 49-59. 

Griffey, R. H., Greig, M. J., Gaus, H. J., Liu, K., Monteith, D., Winniman, M., and Cummins, L. L. (1997). Characterization of oligonucleotide metabolism in vivo via liquid chromatography/electrospray tandem mass spectrometry with a quadrupole ion trap mass spectrometer. J. Mass Spectrom. 32, 305-313. 

Hsu, F.-F., and Turk, 1 1999. Structural Characterization of triacylglycerols as lithiated adducts by electrospray ionization mass spectrometry using low-energy collisionally activated dissociation on a triple stage quadrupole instrument. J. Am. Soc. Mass Spectrom., 10, 587-599. 

Scherperel, G., Yan, H.G., Wang, Y. and Reid, G.E. (2006) Top-down characterization of site-directed mutagenesis products of Staphylococcus aureus dihydroneopterin aldolase by multistage tandem mass spectrometry in a linear quadrupole ion trap. Analyst, 131, 291-302. 

Baiocchi, C. et al. Characterization of methyl orange and its photocatalytic degradation products by HPLC/UV-Vis diode array and atmospheric pressure ionization quadrupole ion trap mass spectrometry. Int. J. Mass Spectrom. 2002, 214, 247-256. 

Tandem mass spectrometry or MS/MS is frequently used for structural elucidation of phytochemicals to provide more detailed information about the structure and composition of a molecule. This involves two mass spectral steps and fragmentation of the compound occurs between the steps. The two steps may be separated in space or in time depending on whether two distinct separation elements are used (space) or two different separations occur in the same place over time. As described previously, an IT analyzer can be used to successively fragment a molecule to provide MS" spectra, an example of separation in time. A triple quadrupole mass spectrometer is a form of tandem mass spectrometry in space in which two quadrupoles serve as mass filters while a third, positioned in the middle, allows for collision-induced dissociation. Triple quadrupoles are common in phytochemical analysis, and have been used to characterize phenolic compounds in fruit juices (Abad-Garcia et ah, 2009) and procyanidins and alkaloids in cocoa (Ortega et ah, 2010), among others. 

Vallverdu-Queralt, A. Jauregui, O. Medina-Remon, A. Andres-Lacueva, C. Lamuela-Raventos, R.M. 2010. Improved characterization of tomato polyphenols using liquid chromatography/electrospray ionization linear ion trap quadrupole Orbitrap mass spectrometry and liquid chromatography/electrospray ionization tandem mass spectrometry. Rapid Comm. Mass Spectrom. 24 2986-2992. 

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