Metabolite identification by mass spectrometry: forty years of evolution

References

• Nassar A-EF Talaat, RE. (2004). Strategies for dealing with metabolite elucidation in drug discovery and development. Drug Discovery Today 9:317–327.
   Google Scholar
• Alex A, Harvey S, Parsons T, Pullen FS, Wright P, Riley JA. (2009). Can density functional theory (DFT) be used as an aid to a deeper understanding of tandem mass spectrometric fragmentation pathways? Rapid Commun Mass Spectrom 23:2619–2627.
   Google Scholar
• Antoniu S. (2008). Discontinued drugs 2007: pulmonary-allergy, dermatogical, gastrointestinal and arthritis drugs. Expert Opinion Investig Drugs 17:1651–1661.
   PubMed Web of Science ®Google Scholar
• Arpino PJ, Krien P, Vajta S, Devant G. (1981). Optimisation of the instrumental parameters of a combined liquid chromatograph-mass spectrometer coupled by an interface for direct liquid introduction. J Chromatogr A 203:117–130.
   Web of Science ®Google Scholar
• Barber M, Bordoli RS, Sedgewick RD, Tyler AN. (1981). Fast atom bombardment of solids (F.A.B.): a new ion source for mass spectrometry. J Chem Soc, Chem Commun 7:325–327.
   Google Scholar
• Barker J, Garner RC. (1999). Biomedical applications of accelerator mass spectrometry-isotope measurements at the level of the atom. Rapid Commun Mass Spectrom 13:285–293.
   PubMed Web of Science ®Google Scholar
• Beynon JH. (1991). Mass spectrometry in retrospect: 25 years and more. Organic Mass Spectrom 26:353–358.
   Google Scholar
• Bieri RH, Greaves J. (1987). Characterization of benzo(a)pyrene metabolites by high performance liquid chromatography-mass spectrometry with a direct liquid introduction interface and using negative chemical ionization. Biomed Environ Mass Spectrom 14:555–561.
   PubMedGoogle Scholar
• Blackey CR, Carmody JJ, Vestal ML. (1980). A new soft ionization technique for mass spectrometry of complex molecules. Anal Chem 52:1636.
   Google Scholar
• Bowers GD, Bayliss MK, Donnelly MC, Fellows I, Ismail IM, Mookherjee CR. (1998). The characterisation of the major metabolite of salmeterol in the dog. J Pharm Biomed Anal 18:461–470.
   Google Scholar
• Bruins AP. (1991). Liquid chromatography-mass spectrometry with ionspray and electrospray interfaces in pharmaceutical and biomedical research. J Chromatogr 554:39–46.
   PubMed Web of Science ®Google Scholar
• Bruins AP. (1994). Atmospheric–pressure-ionisation mass spectrometry 1. Instrumenation and ionisation techniques. Trends Anal Chem 13:37–43.
   Web of Science ®Google Scholar
• Buchholz BA, Dueker SR, Lin Y, Clifford AJ, Vogel JS. (2000). Methods and application of HPLC-AMS. Nucl Instr and Meth In Phys Res B 172:910–914.
   Google Scholar
• Carroll DI, Dzidic I, Stillwel RN, Haegele KD, Horning EC. (1975). Atmospheric pressure ionization mass spectrometry: corona discharge ion source for use in liquid chromatograph—mass spectrometermp_semicomputer analytical system. Anal Chem 47:2369–2373.
   Web of Science ®Google Scholar
• Choi BK, Hercules DM, Zhang T, Gusev AI. (2001). Comparison of quadrupole, time-of-flight, and Fourier transform mass analyzers for LC–MS applications. LCGC 19:514–524.
   Google Scholar
• Clark GT, Haynes JJ, Bayliss MA, Burrows L. (2010). Utilization of DBS within drug discovery: development of a serial microsampling pharmacokinetic study in mice. Bioanalysis 2:1477–1488.
   PubMed Web of Science ®Google Scholar
• Cody RB, Laramée JA, Durst HD. (2005). Versatile new ion source for the analysis of materials in open air under ambient conditions. Anal Chem 77:2297–2302.
   PubMed Web of Science ®Google Scholar
• Comisarow MB, Marshall AG. (1974). Fourier transform ion cyclotron resonance (FT-ICR) spectroscopy. Chem Phys Lett 25:282–283.
   Web of Science ®Google Scholar
• Covey T, Bruins AP, Henion JD. (1988). Comparison of thermospray and IonSpray mass spectrometry in an atmospheric pressure ion source. Organic Mass Spectrom 23:178–186.
   Google Scholar
• Cuyckens F, Balcaen LI, De Wolf K, De Samber B, Van Looveren C, Hurkmans R, Vanhaecke F. (2008). Use of the bromine isotope ratio in HPLC-ICP-MS and HPLC-ESI-MS analysis of a new drug in development. Anal Bioanal Chem 390:1717–1729.
   PubMed Web of Science ®Google Scholar
• Davis-Bruno KL, Atrakchi A. (2006). A regulatory perspective on issues and approaches in characterizing human metabolites. Chem Res Toxicol 19:1561–1563.
   PubMed Web of Science ®Google Scholar
• Dear GJ, Munoz-Muriedas J, Beaumont C, Roberts A, Kirk J, Williams JP, Campuzano I. (2010). Sites of metabolic substitution: investigating metabolite structures utilising ion mobility and molecular modelling. Rapid Commun Mass Spectrom 24:3157–3162.
   PubMed Web of Science ®Google Scholar
• Dempster AJ. (1918). A new method of positive ray analysis. Phys Rev 11:316–325.
   Google Scholar
• Douglas DJ, Frank AJ, Mao D. (2005). Linear ion traps in mass spectrometry. Mass Spectrom Rev 24:1–29.
   PubMed Web of Science ®Google Scholar
• Duckett CJ, Bailey NJC, Walker H, Abou-Shakra F, Wilson ID, Lindon JC, Nicholson JK. (2002). Quantitation in gradient high performance liquid chromatography/inductively coupled mass spectrometry investigated using diclofenac and chloroprozamine. Rapid Commun. Mass Spectrom 16:245–247.
   Google Scholar
• Duckett CJ, Lindon JC, Walker H, Abou-Shakra F, Wilson ID, Nicholson JK. (2006). Metabolism of 3-chloro-4-fluoroaniline in rat using [14C]-radiolabelling, 19F-NMR spectroscopy, HPLC-MS/MS, HPLC-ICPMS and HPLC-NMR. Xenobiotica 36:59–77.
   PubMed Web of Science ®Google Scholar
• Favetta P, Guitton J, Degoutte DS, Van Daele L, Boulie R. (2000). High-performance liquid chromatographic assay to detect hydroxylate and conjugates metabolites of propofol in human urine. J Chromatogr B 742:25–35.
   PubMed Web of Science ®Google Scholar
• FDA. (2008). http://www.fda.gov/downloads/Drugs/GuidanceComplianceRegulatoryInformation/Guidances/ucm079266.pdf
   Google Scholar
• Games DE, Hirter P, Kuhnz W, Lewis E, Weerasinghe NCA, Westwood SA. (1981). Studies of combined liquid chromatography-mass spectrometry with a moving belt interface. J Chromatogr 203:131–138.
   Web of Science ®Google Scholar
• Gammelgaard B, Hansen HR, Stürup S, Møller C. (2008). The use of inductively coupled plasma mass spectrometry as a detector in drug metabolism studies. Expert Opin Drug Metab Toxicol 4:1187–1207.
   PubMed Web of Science ®Google Scholar
• Gammelgaard B, Jensen BP. (2007). Application of inductively coupled plasma mass spectrometry in drug metabolism studies. J Anal At Spectrom 22:235–249.
   Web of Science ®Google Scholar
• Gao H, Deng S, Obach RS. (2010). A simple liquid chromatography-tandem mass spectrometry method to determine relative plasma exposures of drug metabolites across species for metabolite safety assessments. Drug Metab Dispos 38:2147–2156.
   PubMed Web of Science ®Google Scholar
• Garner RC. (2000). Accelerator mass spectrometry in pharmaceutical research and development–a new ultrasensitive analytical method for isotope measurement. Curr Drug Metab 1:205–213.
   PubMed Web of Science ®Google Scholar
• Garner RC. (2005). Less is more: the human microdosing concept. Drug Discov Today 10:449–451.
   PubMed Web of Science ®Google Scholar
• Glish GL, Goeringer DE. (1984). Tandem quadrupole/time-of-flight instrument for mass spectrometry/mass spectrometry. Anal Chem 56:2291–2295.
   Google Scholar
• Greenfield S, Berry CT, Jones IL. (1964). High-pressure plasmas as spectroscopic emission sources. Analyst 89:713–720.
   Web of Science ®Google Scholar
• Hager JW. (2002). A new linear ion trap mass spectrometer. Rapid Commun Mass Spectrom 16:512–526.
   Web of Science ®Google Scholar
• Hager JW, Le Blanc JC. (2003). High-performance liquid chromatography-tandem mass spectrometry with a new quadrupole/linear ion trap instrument. J Chromatogr A 1020:3–9.
   Google Scholar
• Hartley LP. (1953). The Go-Between. London: Hamish Hamilton.
   Google Scholar
• Hop CE, Chen Y, Yu LJ. (2005). Uniformity of ionization response of structurally diverse analytes using a chip-based nanoelectrospray ionization source. Rapid Commun Mass Spectrom 19:3139–3142.
   PubMed Web of Science ®Google Scholar
• Houk RS, Fassel V, Flesch GD, Svec HJ, Gray AL, Taylor CE. (1980). Inductively coupled argon plasma as an ion-source for mass-spectrometric determination of trace-elements. Anal Chem 52:2283–2289.
   Web of Science ®Google Scholar
• Hu Q, Noll RJ, Li H, Makarov A, Hardman M, Graham Cooks R. (2005). The Orbitrap: a new mass spectrometer. J Mass Spectrom 40:430–443.
   PubMed Web of Science ®Google Scholar
• Iribarne JV, Thompson BA. (1976). On the evaporation of small ions from charged droplets. J Chem Phys 64:2287–2295
   Web of Science ®Google Scholar
• Jensen BP, Gammelgaard B, Hansen SH, Andersen JV. (2005). HPLC-ICP-MS compared with radiochemical detection for metabolite profiling of 3H-Bromahexine in rate urine and faeces. J Anal At Spectrom 20:204–209.
   Web of Science ®Google Scholar
• Jensen BP, Smith C, Wilson ID, Weidolf L. (2004). Sensitive sulphur-specific detection of omeprazole metabolites in rat urine by high-performance liquid chromatography/inductively coupled plasma mass spectrometry. Rapid Commun Mass Spectrom 18:181–183.
   PubMed Web of Science ®Google Scholar
• Johnson EG. (1953). Angular aberrations in sector-shaped electromagnetic lenses for focusing beams of charged particles. Phys Rev 91:10–17.
   Web of Science ®Google Scholar
• Karas M, Bachmann D, Hillenkamp F. (1985). Influence of the wavelength in high-irradiance ultraviolet laser desorption mass spectrometry of organic molecules. Anal Chem 57:2935–2939.
   Web of Science ®Google Scholar
• Kaye B, Clark MW, Cussans NJ, Macrae PV, Stopher DA. (1992). The sensitive determination of abanoquil in blood by high-performance liquid chromatography/atmospheric pressure ionization mass spectrometry. Biol Mass Spectrom 21:585–589.
   Google Scholar
• Keski-Hynnilä H, Kurkela M, Elovaara E, Antonio L, Magdalou J, Luukkanen L, Taskinen J, Kostiainen R. (2002). Comparison of electrospray, atmospheric pressure chemical ionization, and atmospheric pressure photoionization in the identification of apomorphine, dobutamine, and entacapone phase II metabolites in biological samples. Anal Chem 74:3449–3457.
   PubMed Web of Science ®Google Scholar
• Kola I, Landis J. (2004). Can the pharmaceutical industry reduce attrition rates? Nat Rev Drug Discov 3:711–715.
   PubMed Web of Science ®Google Scholar
• Lawrence EO, Alvarez LW, Brobeck WM, Cooksey D, Corson DR, McMillan EM, Salisbury WW, Thornton RL. (1939). Initial performance of the 60-inch cyclotron of the William H. Crocker radiation laboratory. University of California. Phys Rev 56:124.
   Google Scholar
• Liu ZY, Tao YF, Chen DM, Wang X, Yuan ZH. (2011). Identification of carbadox metabolites formed by liver microsomes from rats, pigs and chickens using high-performance liquid chromatography combined with hybrid ion trap/time-of-flight mass spectrometry. Rapid Commun Mass Spectrom 25:341–348.
   PubMed Web of Science ®Google Scholar
• Luffer-Atlas D. (2008). Unique/major human metabolites: why, how, and when to test for safety in animals. Drug Metab Rev 40:447–463.
   PubMed Web of Science ®Google Scholar
• Ma S, Chowdhury SK, Alton KB. (2006). Application of mass spectrometry for metabolite identification. Curr Drug Metab 7:503–523.
   PubMed Web of Science ®Google Scholar
• Makarov A. (2000). Electrostatic axially harmonic orbital trapping: a high-performance technique of mass analysis. Anal Chem 72:1156–1162.
   PubMed Web of Science ®Google Scholar
• Mamyrin BA, Karataev VI, Shmikk DV, Zagulin VA. (1973) The mass-reflectron, a new nonmagnetic time-of-flight mass spectrometer with high resolution. Sov Phys JETP 37:45.
   Google Scholar
• Martin LE, Oxford J, Tanner RJ. (1981). The use of on-line high-performance liquid chromatography-mass spectrometry for the identification of ranitidine and its metabolites in urine. Xenobiotica 11:831–840.
   PubMed Web of Science ®Google Scholar
• Martin LE, Oxford J, Dixon D, Schuster RA. (1984). Comparison of the moving belt and direct liquid introduction interfaces for HPLC-MS of ranitidine and its metabolites. Methodol Surv Biochem Anal (Drug Determ Ther Forensic Contexts) 14:191–4.
   Google Scholar
• Mattauch J, Herzog R. (1934). Über einen neuen Massenspektrographen. Zeitschrift fur Physik 89:786.
   Google Scholar
• McFadden H, Schwartz HL, Evans S. (1976). Direct analysis of liquid chromatographic effluents. J Chromatogr 122:389.
   Web of Science ®Google Scholar
• Miyaoka T, Isono Y, Setani K, Kumiko S, Ichimaro Y, Yoshiaki S, Shinobu, G, Takao M. (2007). Bioanalysis works in the IAA AMS facility: comparison of AMS analytical method with LSC method in human mass balance study. Nucl Instrum and Meth In Phys Res B 259:779–785.
   Google Scholar
• Munson MSB, Field FH. (1966). Chemical ionization mass spectrometry I. General introduction. J Am Chem Soc 88:2621–2630.
   Web of Science ®Google Scholar
• Nedderman AN, Wright P. (2010). Looking back through the MIST: a perspective of evolving strategies and key focus areas for metabolite safety analysis. Bioanalysis 2:1235–1248.
   PubMedGoogle Scholar
• Nier AO. (1947). A new mass spectrometer. Rev Sci Instrum 18:398–411.
   PubMed Web of Science ®Google Scholar
• Nobilis M, Anzenbacher P, Pastera J, Svoboda Z, Hrubý K, Kvetina J, Ubik K, Trejtnar F. (1996). Study of the biotransformation of a potential benzo[c]fluorene antineoplastic using high-performance liquid chromatography with high-speed-scanning ultraviolet detection. J Chromatogr B, Biomed Appl 681:143–151.
   Google Scholar
• Paul W, Steinwedel H. (1953). A new mass spectrometer without a magnetic field. Zeitschrift für Naturforschung A 8:448–450.
   Google Scholar
• Prakash C, Shaffer CL, Nedderman A. (2007). Analytical strategies for identifying drug metabolites. Mass Spectrom Rev 26:340–369.
   PubMed Web of Science ®Google Scholar
• Prideaux B, Staab D, Stoeckli M. (2010). Applications of MALDI-MSI to pharmaceutical research. Methods Mol Biol 656:405–413.
   PubMedGoogle Scholar
• Ramanathan R, Su A-D, Alvarez N, Blumenkrantz N, Chowdhury SK, Alton K, Patrick J. (2000). Liquid chromatography/mass spectrometry methods for distinguishing N-oxides from hydroxylated compounds. Anal Chem 72:1352–1359.
   PubMed Web of Science ®Google Scholar
• Ramanathan R, Zhong R, Blumenkrantz N, Chowdhury SK, Alton KB. (2007). Response normalized liquid chromatography nanospray ionization mass spectrometry. J Am Soc Mass Spectrom 18:1891–1899.
   PubMed Web of Science ®Google Scholar
• Rousu T, Herttuainen J, Tolonen A. (2010). Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap™ mass spectrometers in drug discovery phase metabolite screening and identification in vitro–amitriptyline and verapamil as model compounds. Rapid Commun Mass Spectrom 24:939–957.
   PubMed Web of Science ®Google Scholar
• Schmidt A, Karas M, Dülcks T. (2003). Effect of different solution flow rates on analyte ion signals in nano-ESI MS, or: when does ESI turn into nano-ESI? J Am Soc Mass Spectrom 14:492–500.
   PubMed Web of Science ®Google Scholar
• Schneider BB, Javaheri H, Covey TR. (2006). Ion sampling effects under conditions of total solvent consumption. Rapid Commun Mass Spectrom 20:1538–1544 (http://onlinelibrary.wiley.com/doi/10.1002/rcm.2511/abstract - fn1).
   Google Scholar
• Scott RPW, Scott CG, Munroe M, Hess J. (1974). Interface for on-line liquid chromatography—mass spectroscopy analysis. J Chromatogr 99:395.
   Web of Science ®Google Scholar
• Shrestha B, Li Y, Vertes A. (2008). A rapid analysis of pharmaceuticals and excreted xenobiotic and endogenous metabolites with atmospheric pressure infrared MALDI mass spectrometry. Metabolomics 4:297–311.
   Google Scholar
• Smith C, Jensen BP, Wilson ID, Abou-Shakra F, Crowther D. (2004). High-performance liquid chromatography/inductively coupled plasma mass spectrometry and tandem mass spectrometry for the detection of carbon-containing compounds. Rapid Commun Mass Spectrom 18:1487–1492.
   PubMed Web of Science ®Google Scholar
• Smith DA, Obach RS. (2005). Seeing through the mist: abundance versus percentage. Commentary on metabolites in safety testing. Drug Metab Dispos 33:1409–1417.
   PubMed Web of Science ®Google Scholar
• Smith DA, Obach RS. (2006). Metabolites and safety: what are the concerns, and how should we address them? Chem Res Toxicol 19:1570–1579.
   PubMed Web of Science ®Google Scholar
• Stephens W. (1946). Pulsed mass spectrometer with time dispersion. Bull Am Phys Soc 21:22.
   Google Scholar
• Takáts Z, Wiseman JM, Gologan B, Cooks RG. (2004). Mass spectrometry sampling under ambient conditions with desorption electrospray ionization. Science 306:471–473.
   PubMed Web of Science ®Google Scholar
• Thompson BA, Iribarne JV. (1979). Field-induced ion evaporation from liquid surfaces at atmospheric pressure. J Chem Physics 71:4451–4463.
   Google Scholar
• Tiller PR, Yu S, Castro-Perez J, Fillgrove KL, Baillie TA. (2008). High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a ‘first-line’ approach for metabolite identification studies. Rapid Commun Mass Spectrom 22:1053–1061.
   PubMed Web of Science ®Google Scholar
• Tong W, Chowdhury SK, Chen JC, Zhong R, Alton KB, Patrick JE. (2001). Fragmentation of N-oxides (deoxygenation) in atmospheric pressure ionization: investigation of the activation process. Rapid Commun Mass Spectrom 15:2085–2090.
   PubMedGoogle Scholar
• Valaskovic GA, Utley L, Lee MS, Wu JT. (2006). Ultra-low flow nanospray for the normalization of conventional liquid chromatography/mass spectrometry through equimolar response: standard-free quantitative estimation of metabolite levels in drug discovery. Rapid Commun Mass Spectrom 20:1087–1096.
   PubMed Web of Science ®Google Scholar
• Vestbo J, Tan L, Atkinson G, Ward J. (2009). A controlled trial of 6-weeks’ treatment with a novel inhaled phosphodiesterase type-4 inhibitor in COPD. Eur Respir J 33:1039–1044.
   PubMed Web of Science ®Google Scholar
• Vogel JS, Turteltaub KW (2000). Bioanalytical application of accelerator mass spectrometry for pharmaceutical research. Current Pharmaceutical Design 6:991–2007.
   Google Scholar
• Volná K, Holcapek M, Kolárová L, Lemr K, Cáslavský J, Kacer P, Poustka J, Hubálek M. (2008). Comparison of negative ion electrospray mass spectra measured by seven tandem mass analyzers towards library formation. Rapid Commun Mass Spectrom 22:101–108.
   Google Scholar
• Voyksner RD, Bursey JT, Hines JW, Pellizzari ED. (1984). A comparison of thermospray and direct liquid introduction high-performance liquid chromatography/mass spectrometry for the analysis of candidate antimalarials. Biomed Mass Spectrom 11:616–621.
   Google Scholar
• Walker D, Brady J, Dalvie D, Davis J, Dowty M, Duncan JN, Nedderman A, Obach RS, Wright P. (2009). A holistic strategy for characterizing the safety of metabolites through drug discovery and development. Chem Res Toxicol 22:1653–1662.
   PubMed Web of Science ®Google Scholar
• Watson D, Taylor GW, Laird S, Vinson GP. (1987). Identification of steroids in rat adrenal glands by liquid chromatography-thermospray mass spectrometry. Biochem J 242:109–114.
   Google Scholar
• Weaver R. (2008). Poster at ISSX Vienna.
   Google Scholar
• Williams DH, Fleming I. (1995). Spectroscopic Methods in Organic Chemistry, 5th ed. McGraw-Hill Book Company Ltd.
   Google Scholar
• Williams JP, Patel VJ, Holland R, Scrivens JH. (2006). The use of recently described ionisation techniques for the rapid analysis of some common drugs and samples of biological origin. Rapid Commun Mass Spectrom 20:1447–1456.
   PubMed Web of Science ®Google Scholar
• Wilson ID, Brinkman UATh. (2007). Hype and hyphenation: multiple hyphenation of column liquid chromatography and spectroscopy. Trend Anal Chem 26:847–854.
   Google Scholar
• Wiseman JM, Ifa DR, Zhu Y, Kissinger CB, Manicke NE, Kissinger PT, Cooks RG. (2008). Desorption electrospray ionization mass spectrometry: imaging drugs and metabolites in tissues. PNAS 105:18120–18125. http://www.pnas.org/content/105/47/18120.full - aff-1; http://www.pnas.org/content/105/47/18120.full - aff-3)
   PubMed Web of Science ®Google Scholar
• Wishart DS. (2008). Applications of metabolomics in drug discovery and development. Drugs R D 9:307–322.
   PubMed Web of Science ®Google Scholar
• Wright P, Alex A, Nyaruwata T, Parsons T, Pullen F. (2010). Using density functional theory to rationalise the mass spectral fragmentation of maraviroc and its metabolites. Rapid Commun Mass Spectrom 24:1025–1031.
   PubMed Web of Science ®Google Scholar
• Wrona M, Mauriala T, Bateman KP, Mortishire-Smith RJ, O’Connor D. (2005). ‘All-in-one’ analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching. Rapid Commun Mass Spectrom 19:2597–2602.
   PubMed Web of Science ®Google Scholar
• Yamaguchi J, Kokatsu J, Suwa T. (1992). Thermospray liquid chromatography/tandem mass spectrometry of thermally labile xenobiotic conjugates. Biological Mass Spectrom 21:285–291.
   Google Scholar
• Yost RA, Enke CG. (1978). Selected ion fragmentation with a tandem quadrupole mass spectrometer. J Am Chem 100:2274–2275.
   Web of Science ®Google Scholar
• Yost RA, Enke CG, McGilvery DC, Smith D, Morrison JD. (1979). High-efficiency collision-induced dissociation in an RF-only quadrupole. Int J Mass Spectrom Ion Phys 30:127–136.
   Google Scholar
• Zhu P, Tong W, Alton K, Chowdhury S. (2009). An accurate-mass-based spectral-averaging isotope-pattern-filtering algorithm for extraction of drug metabolites possessing a distinct isotope pattern from LC-MS data. Anal Chem 81:5910–5917.
   PubMed Web of Science ®Google Scholar
• Zhu M, Ma L, Zhang D, Ray K, Zhao W, Humphreys WG, Skiles G, Sanders M, Zhang H. (2006). Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data. Drug Metab Dispos 34:1722–1733.
   PubMed Web of Science ®Google Scholar