High-resolution mass spectrometry Orbitrap

In comparison with NMR, mass spectrometry is more sensitive and, thus, can be used for compounds of lower concentration. While it is easily possible to measure picomoles of compounds, detection limits at the attomole levels can be reached. Mass spectrometry also has the ability to identify compounds through elucidation of their chemical structure by MS/MS and determination of their exact masses. This is true at least for compounds below 500 Da, the limit at which very high-resolution mass spectrometry can unambiguously determine the elemental composition. In 2005, this could only be done by FTICR. Orbitrap appears to be a good alternative, with a more limited mass range but a better signal-to-noise ratio. Furthermore, mass spectrometry allows relative concentration determinations to be made between samples with a dynamic range of about 10000. Absolute quantification is also possible but needs reference compounds to be used. It should be mentioned that if mass spectrometry is an important technique for metabolome analysis, another key tool is specific software to manipulate, summarize and analyse the complex multivariant data obtained. 

Characterization of this type of lipid classes and molecular species as well as novel lipid classes with multistage tandem MS was also conducted by using a high-resolution ion trap-Orbitrap mass spectrometer [33]. Any readers who are interested in understanding the fragmentation features of these complex lipids (particularly those novel ones) with high-resolution mass spectrometry should consult the paper. 

Jemal, M. and Quyang, Z. (2003) Rapid Com-mun. Mass Spectrom., 17, 24—38. Kaklamanos, G., Vincent, U., and von Holst, C. (2013) Multi-residue method for the detection of veterinary drugs in distillers grains by liquid chromatography-Orbitrap high resolution mass spectrometry. /. Chromatogr. A, 1322, 38—48. 

Schmid, D. G., Grosche, P., Bandel, H., and Jung, G. (2000). FTICR-mass spectrometry for high-resolution analysis in combinatorial chemistry. Biotechnol. Bioeng. 71 149-161. Scigelova, M., and Makarov, A. (2006). Orbitrap mass analyzer—Overview and applications in proteomics. Proteomics 6 (Suppl. 2) 16-21. 

Ruan, Q., Peterman, S., Szewc, M. A., Ma, L., Cui, D., Humphreys, W. G., and Zhu, M. (2006). Metabolite detection and characterization by high-resolution orbitrap mass spectrometry Application of mass defect and product ion filtering techniques. In Proceedings of the 54th ASMS Conference on Mass Spectrometry and Allied Topics, Seattle, WA. 

Technological advances of ion-trap mass spectrometers are the ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and the recently released technique, the Orbitrap Fourier transform mass spectrometry (Hu et al., 2005), which enable the determination of molecular formulae with a high mass resolution and mass accuracy in mixtures. Today these ion-trap mass spectrometers are most frequently coupled with atmospheric pressure ionization (API) techniques such as electrospray ionization (ESI) (e.g., Fievre et al., 1997 Qian et al., 2001 Kujawinski et al., 2002 Llewelyn et al., 2002 Stenson et al., 2002,2003 Fard et al., 2003) or matrix-assisted laser desorption/ionization (MALDI) (e.g., Solouki et al.,... 

Manicke N, Dill A, Ifa D, Cooks R (2010) High-resolution tissue imaging on an orbitrap mass spectrometry by desorption electrospray ionization mass spectrometry. J Mass Spectrom 45 223-226. doi 10.1002/jms,1707... 

From the time of the second edition published in 2001 until now, much progress has been achieved. Several techniques have been improved, others have almost disappeared. New atmospheric pressure desorption ionization sources have been discovered and made available commercially. One completely new instrument, the orbitrap, based on a new mass analyser, has been developed and is now also available commercially. Improved accuracy in low-mass determination, even at low resolution, improvements in sensitivity, better detection limits and more efficient tandem mass spectrometry even on high-molecular-mass compounds are some of the main achievements. We have done our best to include them is this new edition. 

Mol, H. G. J., Zomer, R, and de Koning, M. 2012. Quahtative aspects and validation of a screening method for pesticides in vegetables and fruits based on hquid chromatography coupled to full scan high resolution (Orbitrap) mass spectrometry. Anal. Bioanal. Chem. 403 2891-2908. 

Mol HGJ, Van Dam RCJ, Zomer P, MuIOct PPJ (2011) Soeening of plant toxins in food, feed and botanicals using full-scan high-resolution (Orbitrap) mass spectrometry. Food Addit Contam 28(10) 1405-1423... 

LC-TOF MS offers fuU-scan high sensitivity, high mass accuracy close to that provided by high-resolution Fourier-transform mass spectrometry (FT-MS) instruments (orbitrap and FT-ICR-MS). 

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