Fragmentation Analysis of Amino acids by High Resolution Tandem MS and High Energy Collision Dissociation

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	Fragmentation Analysis of Amino acids by High Resolution Tandem MS and High Energy Collision Dissociation
	Zhang, P.; Chan, S. W. ; Ang, I. L. ; Wei, R.; Lam, M. M. T.; Poon, C. W.
	2016-09-18
Source Publication	15th Human Proteome Organization World Congress - Congress Abstract Book
Abstract	Introduction and Objectives Amino acids (AAs) analysis in biological sample is crucial and important for disease diagnosis and newborn screening. Typical LCMS/MS based AA analysis needs derivatization to enhance sensitivity. However, such approach is time consuming, and suffers from potential inaccuracy. Recently, AA analysis without derivatization becomes more and more popular by LCMS/MS. Therefore, having a good knowledge of the fragmentation reactions of AAs is helpful for their quantification and identification of AAs in metabolomic profiling studies. However, previous MS/MS spectra (i.e. fragmentation spectra) of AAs were obtained using low resolution QqQ or Ion trap machine, which can only give the nominal mass of the ions, and therefore cannot annotate the fragment ions confidently. Without the correct annotation, it is not easy to elucidate the fragmentation patterns correctly. In the present study, we aim to characterize the fragmentation patterns of amino acids using high resolution tandem MS and high energy collision dissociation (HCD). Methods We systematically investigated the MS/MS fragmentation reactions of 22 pure AA standards by HCD on the high resolution Q-Exactive Quadrupole Orbitrap platform operating at a resolution of 14,000 FWHM. Results and Discussion Facilitated by the accurate mass of fragments, we elucidated their fragmentation patterns clearly, and proposed new fragmentation mechanisms for cystine and tryptophan. Furthermore, we identified the unique fragmentation patterns for quantification and identification of different AAs using high resolution accurate mass MS without requiring good chromatographic separation. The unambiguously and comprehensive fragmentation patterns of these AAs provided useful guidance for structural elucidation of other similar metabolites and peptides as well as for selection of appropriate fragment ions for reliable quantification. Conclusion To the best of our knowledge, this is the first time to systematically study the fragment reactions of AAs by the high resolution MS/MS and HCD. Our data provided a valuable foundation for accurate identification and quantification of AAs in metabolomic profiling studies. [This study was supported by Multi Year Research Grant (MYRG) from the University of Macau (RC Reference Number: MYRG201500233FHS).]
Keyword	amino acids fragmentation high resolution tandem mass spectrometry high energy collision dissociation
Language	英語English
The Source to Article	PB_Publication
PUB ID	33373
Document Type	Conference paper
Collection	DEPARTMENT OF BIOMEDICAL SCIENCES
Corresponding Author	Poon, C. W.
Recommended Citation GB/T 7714	Zhang, P.,Chan, S. W. ,Ang, I. L. ,et al. Fragmentation Analysis of Amino acids by High Resolution Tandem MS and High Energy Collision Dissociation[C], 2016.
APA	Zhang, P.., Chan, S. W. ., Ang, I. L. ., Wei, R.., Lam, M. M. T.., & Poon, C. W. (2016). Fragmentation Analysis of Amino acids by High Resolution Tandem MS and High Energy Collision Dissociation. 15th Human Proteome Organization World Congress - Congress Abstract Book.

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