• Analytical Science and Technology
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• v.6 no.3
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• pp.335-343
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• 1993

The structure of cerebrosides from soybean embryo was determined using fast atom bombardment mass spectrometer (FAB-MS), gas chromatography mass spectrometer (GC-MS) and TLC. The components of cerebroside were determined by GC-MS after acid hydrolysis. The molecular weight distribution of cerebroside was measured by positive mode FAB-MS with LiOH saturated 3-nitrobenzylalcohol(3-NBA) matrix. Structures of individual components of complex mixtures can be determined easily by this process. The major constituent of soybean extracted cerebroside was determined as the glucoside of N-2'-hydroxypalmitoyl-sphingadienine.

• Mass Spectrometry Letters
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• v.3 no.2
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• pp.29-38
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• 2012

A new approach of volatile compounds analysis is proposed using a linear ion trap Orbitrap mass spectrometer coupled with gas chromatography through an atmospheric pressure photoionization interface. In the proposed GC-HRMS/MS approach, direct chemical composition analysis is made for the precursor ions in high resolution MS spectra and the structural identifications were made through the database search of high quality MS/MS spectra. Successful analysis of a complex perfume sample was demonstrated and compared with GC-EI-Q and GC-EI-TOF. The current approach is complementary to conventional GC-EI-MS analysis and can identify low abundance co-eluting compounds. Toluene co-sprayed as a dopant through API probe significantly enhanced ionization of certain compounds and reduced oxidation during the ionization.

• Korean Journal of Pharmacognosy
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• v.44 no.4
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• pp.350-361
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• 2013

Asarum sieboldii has been used for treatment of fever, pain, common cold, and chronic sinusitis in Korea. In this study, we performed quantification analysis of seven major constituents including aristolochic acid I, aristolochic acid II, ${\alpha}$-asarone, ${\beta}$-asarone, elemicin, methyl eugenol, and safrole in the 70% ethanol extract of Asarum sieboldii and its solvent fractions, n-hexane, ethylacetate, n-butanol, and water ones using a ultra-performance liquid chromatography-electrospray ionization-mass spectrometer(UPLC-ESI-MS) and gas chromatography-mass spectrometer(GC-MS). Regression equations of seven components were acquired with $r^2$ values >0.99. The values of limit of detection(LOD) and quantification(LOQ) were 0.1-3.9 ng/mL and 0.3-11.7 mg/mL, respectively. The amount of the seven compounds in Asarum sieboldii were not detected -143.66 mg/g. The established LC-MS/MS and GC-MS methods will be helpful to improve quality control of Asarum sieboldii.

• Journal of Korean Society of Environmental Engineers
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• v.36 no.11
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• pp.764-770
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• 2014

This study assessed analysis of N-nitrosamines by separation, identification, and quantification using a gas chromatography (GC) mass spectrometer (MS) with electron impact (EI) mode. Samples were pretreated by a automated solid phase extraction (SPE) and a nitrogen concentration technique to detect low concentration ranges. The analysis results by EI-GC/MS (SIM) and EI-GC/MS/MS (MRM) on standard samples with no pretreatment exhibited similar results. On the other hand, the analysis of pretreated samples at low concentrations (i.e. ng/L levels) were not reliable with a EI-GC/MS due to the interferences from impurity peaks. The method detection limits of eight (8) N-nitrosamines by EI-GC/MS/MS analysis ranged from 0.76 to 2.09 ng/L, and the limits of quantification ranged from 2.41 to 6.65 ng/L. The precision and accuracy of the method were evaluated using spiked samples at concentrations of 10, 20 and 100 ng/L. The precision were 1.2~13.6%, and the accuracy were 80.4~121.8%. The $R^2$ of the calibration curves were greater than 0.999. The recovery rates for various environmental samples were evaluated with a surrogate material (NDPA-$d_{14}$) and ranged 86.2~122.3%. Thus, this method can be used to determine low (ng/L) levels of N-nitrosamines in water samples.

• The Transactions of The Korean Institute of Electrical Engineers
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• v.67 no.9
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• pp.1232-1238
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• 2018

This paper proposes methods for improving mass spectral resolution for a gas chromatograph mass spectrometer. The slope signs of the 1st and 2nd fitting functions for the ion signal block of each mass index are obtained, and the unnecessary element signals in the ion signal block are removed. The spectrum can be obtained by obtaining the second-order fitting function of the reconstructed ion signal block using only the effective ion signals. In addition, the resolution of the mass spectrum can be improved by correcting the error caused by the shift of the spectral peak position. To verify the performance of the proposed methods, computer simulations were performed using the actual ion signals obtained from the GC-MS system under development. Simulation results show that the proposed method is valid.

• YAKHAK HOEJI
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• v.60 no.1
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• pp.29-35
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• 2016

Traditional Korean medicines may be managed more scientifically, through the development of logical criterion to verify their cultivation region. It contributes to advance the industry of traditional herbal medicines. Volatile compounds were obtained from 14 samples of domestic Taeksa and 30 samples of Chinese Taeksa by steam distillation. The metabolites were identified by NIST mass spectral library in the obtained gas chromatography/mass spectrometer (GC/MS) data of 35 training samples. The multivariate statistical analysis, such as Principal Component Analysis (PCA), Partial Least Squares Discriminant Analysis (PLS-DA), and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA), were performed based on the qualitative and quantitative data. Finally trans-(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide (47.265 min), 1,2,3,4-tetrahydro-1-phenyl-naphthalene (47.781 min), spiro[4-oxatricyclo[5.3.0.0.(2,6)]decan-3-one-5,2'-cyclohexane] (54.62 min), 6-[7-nitrobenzofurazan-4-yl]amino-morphinan-4,5-epoxy (54.86 min), p-hydroxynorephedrine (55.14 min) were determined as marker metabolites to verify candidates for the origin of Taeksa. The statistical model was well established to determine the origin of Taeksa. The cultivation areas of test samples, each 3 domestic and 6 Chinese Taeksa were predicted by the established OPLS-DA model and it was confirmed that all 9 samples were precisely classified.

• 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.

• Industry Promotion Research
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• v.9 no.1
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• pp.13-20
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• 2024

In this study, we conducted a compositional analysis of five darkening shampoos available in the South Korean market and evaluated their active ingredients and safety based on the analysis results. GC-MS analysis was employed to identify the main components of each shampoo, revealing discrepancies between the detected compounds and the ingredient lists provided by the manufacturers. These differences are interpreted as being due to the limitations of the GC-MS analysis and the volatility of certain compounds. Further investigations were carried out to explore compounds potentially contributing to hair darkening. However, it was not definitively concluded that these compounds are directly involved in the hair darkening process. It is speculated that they may enhance hair care product performance and offer additional benefits to hair, or improve product texture, stability, or preservation. Additionally, the GC-MS analysis identified several compounds with potential safety concerns, necessitating caution when used as cosmetic ingredients.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.3114-3114
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• 2001

During the last years phytochemistry and phytopharmaceutical applications have developed rapidly and so there exists a high demand for faster and more efficient analysis techniques. Therefore we have established a near infrared transflectance spectroscopy (NIRS) method that allows a qualitative and quantitative determination of new polyphenolic pharmacological active leading compounds within a few seconds. As the NIR spectrometer has to be calibrated the compound of interest has at first to be characterized by using one or other a combination of chromatographic or electrophoretic separation techniques such as thin layer chromatography (TLC), high performance liquid chromatography (HPLC), capillary electrophoresis (CE), gas chromatography (GC) and capillary electrochromatography (CEC). Both structural elucidation and quantitative analysis of the phenolic compound is possible by direct coupling of the mentioned separation methods with a mass spectrometer (GC-MS, LC-MS/MS, CE-MS, CEC-MS) and a NMR spectrometer (LC-NMR). Furthermore the compound has to be isolated (NPLC, MPLC, prep. TLC, prep. HPLC) and its structure elucidated by spectroscopic techniques (UV, IR, HR-MS, NMR) and chemical synthesis. After that HPLC can be used to provide the reference data for the calibration step of the near infrared spectrometer. The NIRS calibration step is time consuming, which is compensated by short analysis times. After validation of the established NIRS method it is possible to determine the polyphenolic compound within seconds which allows to raise the efficiency in quality control and to reduce costs especially in the phytopharmaceutical industry.

• Analytical Science and Technology
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• v.32 no.3
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• pp.88-95
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• 2019

This study was conducted to establish the analytical method for the determination of cyanide in blood, urine, lung and skin tissues in rats. In order to detect or quantify the sodium cyanide in above biological matrixes, it was derivatized to Pentafluorobenzyl cyanide (PFB-CN) using pentafluorobenzyl bromide (PFB-Br) and then reaction substance was analyzed using gas chromatography mass spectrometer (GC/MS)-SIM (selected ion monitoring) mode. The analytical method for cyanide determination was validated with respect to parameters such as selectivity, system suitability, linearity, accuracy and precision. No interference peak was observed for the determination of cyanide in blank samples, zero samples and lower limit of quantification (LLOQ) samples. The lowest limit detection (LOD) for cyanide was $10{\mu}M$. The linear dynamic range was from 10 to $200{\mu}M$ for cyanide with correlation coefficients higher than 0.99. For quality control samples at four different concentrations including LLOQ that were analyzed in quintuplicate, on six separate occasions, the accuracy and precision range from -14.1 % to 14.5% and 2.7 % to 18.3 %, respectively. The GC/MS-based method of analysis established in this study could be applied to the toxicokinetic study of cyanide on biological matrix substrates such as blood, urine, lung and skin tissues.