• Journal of the Korea Institute of Information and Communication Engineering
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• v.23 no.6
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• pp.666-674
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• 2019

In the mass spectrum of the mass spectrometer, the spectrum of the low peak adjacent to the spectrum having the high peak value is connected to each other and thus the separation is difficult. This inter-spectral overlap causes degradation of the mass spectral detection performance and resolution. In this paper, we propose a method to improve the mass spectrum detection performance and peak accuracy of residual gas analyzer. The type discrimination according to the characteristics of the ion signal block and the pre-correction for the peak position error can separate and detect the spectrum of the low peak connected to the adjacent spectra. To verify the performance of the proposed method, we compared the proposed method with the conventional method in simulations using actual ion signals obtained from the mass spectrometer under development.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.23 no.1
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• pp.47-54
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• 2019

An improved method of spectrum detection algorithm for mass spectrum analysis system is proposed. In the conventional spectrum detection algorithm that utilizes the results of the linear approximation and quadratic curve fitting on the ion signal block of each mass index, it is possible to reduce the detection error in the mass spectrum detection by further improving the condition of eliminating the invalid ion signals. Also, the proposed method can reduce the estimation error of the peak value of the mass spectrum by using the result of quadratic curve fitting for the effective ion signal block in which the peak position error is corrected. To evaluate the effectiveness of the proposed method, computer simulations were carried out step by step using the measured ion signal. Also, by comparing the rate of false detection for several inputs, the proposed method showed better detection performance than the conventional method.

• Journal of KIISE:Software and Applications
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• v.34 no.10
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• pp.889-899
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• 2007

In proteomics, recent advancements In mass spectrometry technology and in protein extraction and separation technology made high-throughput analysis possible. This leads to thousands to hundreds of thousands of MS/MS spectra per single LC-MS/MS experiment. Such a large amount of data creates significant computational challenges and therefore effective data analysis methods that make efficient use of computational resources and, at the same time, provide more peptide identifications are in great need. Here, SIFTER system is designed to avoid inefficient processing of shotgun proteomic data. SIFTER provides software tools that can improve throughput of mass spectrometry-based peptide identification by filtering out poor-quality tandem mass spectra and estimating a Peptide charge state prior to applying analysis algorithms. SIFTER tools characterize and assess spectral features and thus significantly reduce the computation time and false positive rates by localizing spectra that lead to wrong identification prior to full-blown analysis. SIFTER enables fast and in-depth interpretation of tandem mass spectra.

• Bioinformatics and Biosystems
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• v.1 no.2
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• pp.109-114
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• 2006

In proteomics research, proteins are digested into peptides by an enzyme and in mass spectrometer, these peptides break into fragment ions to generate tandem mass spectra. The tandem mass spectral data obtained from the mass spectrometer consists of the molecular weights of the precursor ion and fragment ions. The precursor ion mass of tandem mass spectrum is the first value that is fetched to sort the candidate peptides in the database search. We look far the peptide sequences whose molecular weight matches with precursor ion mass of the mass spectrum. Then, we choose one peptide sequence that shows the best match with fragment ions information. The precursor ion mass of the tandem mass spectrum is compared with that of the digested peptides of protein database within the mass tolerance that is assigned by users according to the mass spectrometer accuracy. In this study, we used reversed sequence database method to analyze the molecular weight distribution of precursor ions of the tandem mass spectra obtained by the FT LTQ mass spectrometer for human plasma sample. By reinterpreting the precursor ion mass distribution, we could compute the experimental accuracy and we suggested a method to improve the protein identification performance.

• Analytical Science and Technology
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• v.6 no.1
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• pp.77-82
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• 1993

Negative chemical ionization mass spectrometry(NCI-MS) can provide the enhancement in sensitivity in the analysis of amino acids. For molecules which are strongly electron-capturing, NCI-MS has been of amino to have detection limits in the femtomole to attomole($10^{18}$) range. Because of the selectivity of the ionization process, background noise is diminished, further enhancing signal to noise ratio. In this paper, we explored a dinitro-phenyl derivatives of amino acids by NCI-MS and compared it with eletron ionization method. The results demonstrated NCI-MS produces very clean spectra with a very little noise.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.22 no.1
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• pp.33-39
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• 2018

An additive noise reduction algorithm for a mass spectrum analyzer is proposed. From the measured ion signal, we first used an estimated threshold from the mode of the measured signal to eliminate background noises with the white Gaussian characteristics. Also, a signal block corresponding to each mass index is constructed to perform a second order curve fitting and a linear approximation to signal block. In this process, the effective signal block composed of only the ion signal can be reconstructed by removing the impulsive noises and the sample signals which are insufficient to be viewed as normal ion signals. By performing curve fitting on the effective signal block, the noise-free mass spectrum can be obtained. To evaluate the performance of the proposed method, a simulation was performed using the signals acquired from the development equipment. Simulation results show the validity of the threshold setting from the mode and the superiority of the proposed curve fitting and linear approximation based noise canceling algorithm.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.14 no.4
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• pp.413-422
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• 2001

In this study, the effect of hydrodynamic masses is investigated in the dynamic characteristics and earthquake response analyses of the submerged HANARO flow tubes. First, the consistent hydrodynamic masses of the surrounding water are obtained by finite element method. Then, modal analyses and response spectrum analyses are performed and verified by comparing the results with those measured from an experiment. Arbitrary cross-sections of submerged structures and boundary conditions of the surrounding fluid can be considered by using the general benefits of a finite element method comparing with the conventional analytical methods. Practical criteria based on parametric studies are proposed to evaluate the dynamic characteristics of HANARO flow tubes including the hydrodynamic masses.

• Journal of Plant Biotechnology
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• v.29 no.3
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• pp.161-170
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• 2002

For the hairy root of Panax ginseng, we have got mass spectrums from MALDI/TOF/MS analysis and Tandem mass spectrums from ESI/Q-TOF/MS analysis. While mass spectrum provides the molecular weights of peptide fragments digested by protease such as trypsin, tandem mass spectrum produces amino acid sequence of digested peptides. Each amino acid sequences can be a query sequence in BLAST search to identify proteins. For the specimens of animals or plants of which genome sequences were known, we can easily identify expressed proteins from mass spectrums with high accuracy. However, for the other specimens such as ginseng, it is difficult to identify proteins with accuracy since all the protein sequences are not available yet. Here we compared the mass spectrums and the peptide amino acid sequences with ginseng expressed sequence tag (EST) DB. The matched EST sequence was used as a query in BLAST search for protein identification. They could offer the correct protein information by the sequence alignment with EST sequences. 90% of peptide sequences of ESI/Q-TOF/MS are matched with EST sequences. Comparing 68% matches of the same sequences with the nr database of NCBI, we got more matches by 22% from ginseng EST sequence search. In case of peptide mass fingerprinting from MALDI/TOF/MS, only about 19% (9 proteins of 47 spots) among peptide matches from nr DB were correlated with ginseng EST DB. From these results, we suggest that amino acid sequencing using tandem mass spectrum analysis may be necessary for protein identification in ginseng proteome analysis.

• Progress in Medical Physics
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• v.23 no.4
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• pp.285-291
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• 2012

In the present study, we measured the pure beta particle energy spectra of $^{147}Pm$, $^{85}Kr$, $^{90}Sr+^{90}Y$ radionuclide sources. We confirmed the residual maximum energies of KRISS sources meet the requirement of ISO 6980 and calculated mass collision stopping power ratio, which is essential for absolute measurement of absorbed dose from the reference ${\beta}$-rays. The residual maximum energies of KRISS $^{147}Pm$, $^{85}Kr$, $^{90}Sr+^{90}Y$ sources are 0.14, 0.57 and 0.93 MeV, respectively and the mass collision stopping power ratios are 1.123, 1.120 and 1.109, respectively.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.19 no.1
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• pp.1-19
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• 1993

Gas chromatography serves to separate the mixtures into its components, and mass spectrometer is used to analyzing of unknown compounds. But there are many problems the identification of horn compounds using by GC only. As this reason GC/MS a very powerful analyzing technique. Mass spectrometer consists of 1) inlet stem 2) ion source 3) Bass filter 4) detectors and 5) data system. There are two analyzing modes in the GC/MS, those are scan and SIM(selected ion mom toping) modes. Scan mode is used when analyzing unknown compounds and SIM mode al lows the mass spectrometer to detect specific compound with very high sensitivity. As GC/MS applications for the analysis of cosmetic products, volatile compounds in lotion, earn foundation and hair color, and carbon distribution of fatty acids in soap were performed. Also as a new sample pre-treatment technique, head space sampler/GC/MS introduced in order to analyze the volatile compounds in a toothpaste.