Expeditious discrimination of four species of the Panax genus using direct infusion-MS/MS combined with multivariate statistical analysis

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences

Volumn 1002, Issue , 2015, Pages 329-336

  Kim, Shinae ^a   Shin, Byong kyu ^a   Lim, Dong Kyu ^a   Yang, Tae Jin ^b   Lim, Johan ^a   Park, Jeong Hill ^a   Kwon, Sung Won ^b  

^a Seoul National University   (South Korea)

^b Seoul National University   (South Korea)

Author keywords

Direct infusion MS MS; LC MS; Panax; Statistical model

Indexed keywords

DISCRIMINANT ANALYSIS; IONS; LEAST SQUARES APPROXIMATIONS; PRINCIPAL COMPONENT ANALYSIS; TRANSPORT PROPERTIES;

DIRECT INFUSIONS; LC-MS; MULTIVARIATE STATISTICAL ANALYSIS; PANAX; PANAX QUINQUEFOLIUS; PARTIAL LEAST SQUARES - DISCRIMINANT ANALYSIS; SPECTRAL INTENSITY; STATISTICAL MODELING;

MULTIVARIANT ANALYSIS;

AGLYCONE; ARABINOSE; GINSENOSIDE; GINSENOSIDE RB 1; GINSENOSIDE RD; GINSENOSIDE RE; GLUCOSE; PROTOPANAXADIOL; RHAMNOSE; XYLOSE;

ARTICLE; CHEMICAL STRUCTURE; DIRECT INFUSION TANDEM MASS SPECTROMETRY; GINSENG; LIQUID CHROMATOGRAPHY; METABOLOMICS; MOLECULAR WEIGHT; MULTIVARIATE ANALYSIS; NONHUMAN; PANAX; PANAX NOTOGINSENG; PANAX QUINQUEFOLIUS; PANAX VIETNAMENSIS; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; SPECIES IDENTIFICATION; TANDEM MASS SPECTROMETRY; CLASSIFICATION; PROCEDURES; SPECIES DIFFERENCE;

MULTIVARIATE ANALYSIS; PANAX; PRINCIPAL COMPONENT ANALYSIS; SPECIES SPECIFICITY; TANDEM MASS SPECTROMETRY;

EID: 84941055145     PISSN: 15700232     EISSN: 1873376X     Source Type: Journal    
DOI: 10.1016/j.jchromb.2015.08.034     Document Type: Article

References (38)

1. Wang X., Sakuma T., Asafu-Adjaye E., Shiu G.K. Determination of ginsenosides in plant extracts from Panax ginseng and Panax quinquefolius L. by LC/MS/MS. Anal. Chem. 1999, 71:1579-1584.
2. Fuzzati N. Analysis methods of ginsenosides. J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. 2004, 812:119-133.
3. Ji Q.C., Harkey M.R., Henderson G.L., Gershwin M.E., Stern J.S., Hackman R.M. Quantitative determination of ginsenosides by high-performance liquid chromatography-tandem mass spectrometry. Phytochem. Anal. PCA 2001, 12:320-326.
4. Chan T.W.D., But P.P.H., Cheng S.W., Kwok I.M.Y., Lau F.W., Xu H.X. Differentiation and authentication of Panax ginseng, Panax quinquefolius, and Ginseng products by using HPCL/MS. Anal. Chem. 2000, 72:2329.
5. Aprea E., Gika H., Carlin S., Theodoridis G., Vrhovsek U., Mattivi F. Metabolite profiling on apple volatile content based on solid phase microextraction and gas-chromatography time of flight mass spectrometry. J. Chromatogr. A 2011, 1218:4517-4524.
6. Soares P.K., Scarminio I.S. Multivariate chromatographic fingerprint preparation and authentication of plant material from the genus Bauhinia. Phytochem. Anal.: PCA 2008, 19:78-85.
7. Mie A., Laursen K.H., Aberg K.M., Forshed J., Lindahl A., Thorup-Kristensen K., Olsson M., Knuthsen P., Larsen E.H., Husted S. Discrimination of conventional and organic white cabbage from a long-term field trial study using untargeted LC-MS-based metabolomics. Anal. Bioanal. Chem. 2014, 406:2885-2897.
8. Jandric Z., Roberts D., Rathor M.N., Abrahim A., Islam M., Cannavan A. Assessment of fruit juice authenticity using UPLC-QToF MS: a metabolomics approach. Food Chem. 2014, 148:7-17.
9. Diaz R., Pozo O.J., Sancho J.V., Hernandez F. Metabolomic approaches for orange origin discrimination by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. Food Chem. 2014, 157:84-93.
10. Chan E.C., Yap S.L., Lau A.J., Leow P.C., Toh D.F., Koh H.L. Ultra-performance liquid chromatography/time-of-flight mass spectrometry based metabolomics of raw and steamed Panax notoginseng. Rapid Commun. Mass Spectrom.: RCM 2007, 21:519-528.
11. van der Kooy F., Maltese F., Choi Y.H., Kim H.K., Verpoorte R. Quality control of herbal material and phytopharmaceuticals with MS and NMR based metabolic fingerprinting. Planta Med. 2009, 75:763-775.
12. Kim N., Kim K., Choi B.Y., Lee D., Shin Y.S., Bang K.H., Cha S.W., Lee J.W., Choi H.K., Jang D.S., Lee D. Metabolomic approach for age discrimination of Panax ginseng using UPLC-Q-Tof MS. J. Agric. Food Chem. 2011, 59:10435-10441.
13. Beckwith-Hall B.M., Holmes E., Lindon J.C., Gounarides J., Vickers A., Shapiro M., Nicholson J.K. NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat. Chem. Res. Toxicol. 2002, 15:1136-1141.
14. Ellis D.I., Goodacre R. Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy. Analyst 2006, 131:875-885.
15. Harrigan G.G., LaPlante R.H., Cosma G.N., Cockerell G., Goodacre R., Maddox J.F., Luyendyk J.P., Ganey P.E., Roth R.A. Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity. Toxicol. Lett. 2004, 146:197-205.
16. Lin L., Yu Q., Yan X., Hang W., Zheng J., Xing J., Huang B. Direct infusion mass spectrometry or liquid chromatography mass spectrometry for human metabonomics? A serum metabonomic study of kidney cancer. Analyst 2010, 135:2970-2978.
17. Mas S., Villas-Boas S.G., Hansen M.E., Akesson M., Nielsen J. A comparison of direct infusion MS and GC-MS for metabolic footprinting of yeast mutants. Biotechnol. Bioeng. 2007, 96:1014-1022.
18. Silva M.J., Samandar E., Preau J.L., Reidy J.A., Needham L.L., Calafat A.M. Quantification of 22 phthalate metab Solites in human urine. J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. 2007, 860:106-112.
19. Roy S.M., Becker C.H. Quantification of proteins and metabolites by mass spectrometry without isotopic labeling. Methods Mol. Biol. 2007, 359:87-105.
20. Annesley T.M. Ion suppression in mass spectrometry. Clin. Chem. 2003, 49:1041-1044.
21. Giavalisco P., Hummel J., Lisec J., Inostroza A.C., Catchpole G., Willmitzer L. High-resolution direct infusion-based mass spectrometry in combination with whole C-13 metabolome isotope labeling allows unambiguous assignment of chemical sum formulas. Anal. Chem. 2008, 80:9417-9425.
22. Dunn W.B., Overy S., Quick W.P. Evaluation of automated electrospray-TOF mass spectrometryfor metabolic fingerprinting of the plant metabolome. Metabolomics 2005, 1:137-148.
23. Kirwan J.A., Broadhurst D.I., Davidson R.L., Viant M.R. Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow. Anal. Bioanal. Chem. 2013, 405:5147-5157.
24. Lerma-Garcia M.J., Ramis-Ramos G., Herrero-Martinez J.M., Simo-Alfonso E.F. Classification of vegetable oils according to their botanical origin using sterol profiles established by direct infusion mass spectrometry. Rapid Commun. Mass Spectrom. RCM 2008, 22:973-978.
25. Pluskal T., Castillo S., Villar-Briones A., Oresic M. MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinform. 2010, 11:395.
26. Lee D.K., Yoon M.H., Kang Y.P., Yu J., Park J.H., Lee J., Kwon S.W. Comparison of primary and secondary metabolites for suitability to discriminate the origins of Schisandra chinensis by GC/MS and LC/MS. Food Chem. 2013, 141:3931-3937.
27. Xia J., Psychogios N., Young N., Wishart D.S. MetaboAnalyst: a web server for metabolomic data analysis and interpretation. Nucleic Acids Res. 2009, 37:W652-W660.
28. ®HILIC-MS Spectra of Human Urine - Experience with the Shimadzu IT-T of and Profiling Solutions Data Extraction Software. J. Chromatogr. Sep. Techn. 2012, 03.
29. Mielke P.W., Berry K.J. Permutation Methods: a Distance Function Approach 2007, Springer.
30. Qi L.W., Wang H.Y., Zhang H., Wang C.Z., Li P., Yuan C.S. Diagnostic ion filtering to characterize ginseng saponins by rapid liquid chromatography with time-of-flight mass spectrometry. J. Chromatogr. A 2012, 1230:93-99.
31. Wu W., Song F.R., Guo D.J., Mi J., Qin Q.J., Yu Q., Liu S.Y. Mass spectrometry-based approach in Ginseng research: a promising way to metabolomics. Curr. Anal. Chem. 2012, 8:43-66.
32. Qi L.W., Wang C.Z., Yuan C.S. Isolation and analysis of ginseng: advances and challenges. Nat. Prod. Rep. 2011, 28:467-495.
33. Song F., Liu Z., Liu S., Cai Z. Differentiation and identification of ginsenoside isomers by electrospray ionization tandem mass spectrometry. Anal. Chim. Acta 2005, 531:69-77.
34. Chu C., Xu S., Li X., Yan J., Liu L. Profiling the ginsenosides of three ginseng products by LC-Q-TOF/MS. J. Food Sci. 2013, 78:C653-C659.
35. Jiang P., Dou S., Liu L., Zhang W., Chen Z., Xu R., Ding J., Liu R. Identification of multiple constituents in the TCM-Formula Shexiang Baoxin pill by LC coupled with DAD-ESI-MS-MS. Chromatographia 2009, 70:133-142.
36. MacCrehan W.A., White C.M. Simplified ultrasonically- and microwave-assisted solvent extractions for the determination of ginsenosides in powdered Panax ginseng rhizomes using liquid chromatography with UV absorbance or electrospray mass spectrometric detection. Anal. Bioanal. Chem. 2013, 405:4511-4522.
37. Szymanska E., Saccenti E., Smilde A.K., Westerhuis J.A. Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies. Metabolomics 2012, 8:3-16.
38. Lapins M., Eklund M., Spjuth O., Prusis P., Wikberg J.E. Proteochemometric modeling of HIV protease susceptibility. BMC Bioinformatics 2008, 9:181.