An integral strategy toward the rapid identification of analogous nontarget compounds from complex mixtures

Journal of Chromatography A

Volumn 1303, Issue , 2013, Pages 39-47

  Wu, Liang ^a   Gong, Ping ^a   Wu, Yuzheng ^a   Liao, Ke ^a   Shen, Hanyuan ^a   Qi, Qu ^a   Liu, Huiying ^a   Wang, Guangji ^a   Hao, Haiping ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

Analogous compounds; Herbal medicines; LC MS IT TOF; Nontarget analysis and Quantitative structure retention relationship (QSRR); Organic acids

Indexed keywords

ANALOGOUS COMPOUNDS; HERBAL MEDICINES; LC/MS-IT-TOF; MASS SPECTROMETRIC DATA; QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIP; RAPID IDENTIFICATION; STRUCTURAL CHARACTERIZATION; UNIVERSAL PROPERTIES;

ISOMERS; MEDICINE; MIXTURES; ORGANIC ACIDS; PLANT EXTRACTS;

COMPLEX NETWORKS;

CARBOXYLIC ACID; GINSENOSIDE;

ARTICLE; CONTROLLED STUDY; DRUG MIXTURE; HERBAL MEDICINE; HYDROGEN BOND; HYDROPHOBICITY; ISOMER; LIQUID CHROMATOGRAPHY; MOLECULAR WEIGHT; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE RETENTION RELATIONSHIP; SEPARATION TECHNIQUE; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; TIME OF FLIGHT MASS SPECTROMETRY; VALIDATION PROCESS;

ANALOGOUS COMPOUNDS; BACK PROPAGATION NEURAL NETWORK; BNN; GENETIC FUNCTION APPROXIMATION; GFA; HERBAL MEDICINES; LC/MS-IT-TOF; MASS SPECTROMETRY; MLR; MS; MULTIPLE LINEAR REGRESSION; NONTARGET ANALYSIS AND QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIP (QSRR); ORGANIC ACIDS; QSRR; QUANTITATIVE STRUCTURE RETENTION RELATIONSHIP; SOLID PHASE EXTRACTION; SPE;

CHROMATOGRAPHY; COMPLEX MIXTURES; DRUGS, CHINESE HERBAL; ISOMERISM; MASS SPECTROMETRY; MOLECULAR STRUCTURE; PLANTS, MEDICINAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

FLOS;

EID: 84880514182     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2013.06.041     Document Type: Article

References (27)

1. Schmidt B.M., Ribnicky D.M., Lipsky P.E., Raskin I. Nat. Chem. Biol. 2007, 3:360.
2. Liu Y., Wang M.W. Life Sci. 2008, 82:445.
3. Pelkonen O., Pasanen M., Lindon J.C., Chan K., Zhao L., Deal G., Xu Q., Fan T.P. J. Ethnopharmacol. 2012, 140:587.
4. Calapai G. Drug Saf. 2008, 31:428.
5. Holmes D. Lancet 2011, 377:1479.
6. Lacina O., Urbanova J., Poustka J., Hajslova J. J. Chromatogr. A 2010, 1217:648.
7. Hao H., Cui N., Wang G., Xiang B., Liang Y., Xu X., Zhang H., Yang J., Zheng C., Wu L., Gong P., Wang W. Anal. Chem. 2008, 80:8187.
8. Zhou J.L., Qi L.W., Li P. J. Chromatogr. A 2009, 1216:7582.
9. Lacorte S., Fernandez-Alba A.R. Mass Spectrom. Rev. 2006, 25:866.
10. Prasad B., Garg A., Takwani H., Singh S. Trends Anal. Chem. 2011, 30:360.
11. Xie T., Liang Y., Hao H.J.A., Xie L., Gong P., Dai C., Liu L., Kang A., Zheng X., Wang G. J. Chromatogr. A 2012, 1227:234.
12. Zheng C., Hao H., Wang X., Wu X., Wang G., Sang G., Liang Y., Xie L., Xia C., Yao X. J. Mass Spectrom. 2009, 44:230.
13. Put R., Vander Heyden Y. Anal. Chim. Acta 2007, 602:164.
14. Kaliszan R. Chem. Rev. 2007, 107:3212.
15. Héberger K. J. Chromatogr. A 2007, 1158:273.
16. Segan S., Andric F., Radoicic A., Opsenica D., Solaja B., Zlatovic M., Milojkovic-Opsenica D. J. Sep. Sci. 2011, 34:2659.
17. Gupta V.K., Khani H., Ahmadi-Roudi B., Mirakhorli S., Fereyduni E., Agarwal S. Talanta 2011, 83:1014.
18. Ghavami R., Mohammad Sajadi S. Chromatographia 2010, 72:523.
19. De Matteis C.I., Simpson D.A., Doughty S.W., Euerby M.R., Shaw P.N., Barrett D.A. J. Chromatogr. A 2010, 1217:6987.
20. Szaleniec M., Dudzik A., Pawul M., Kozik B. J. Chromatogr. A 2009, 1216:6224.
21. Dong P.P., Ge G.B., Zhang Y.Y., Ai C.Z., Li G.H., Zhu L.L., Luan H.W., Liu X.B., Yang L. J. Chromatogr. A 2009, 1216:7055.
22. Natić M., Marković R., Milojković-Opsenica D., Tesić Z. J. Sep. Sci. 2007, 30:2241.
23. Creek D.J., Jankevics A., Breitling R., Watson D.G., Barrett M.P., Burgess K.E. Anal. Chem. 2011, 83:8703.
24. Rogers D., Hopfinger A.J. J. Chem. Inf. Comput. Sci. 1994, 34:854.
25. Richon A.B., Young S.S. NetSci's Science Center: Computational Chemistry 1997.
26. Gong P., Cui N., Wu L., Liang Y., Hao K., Xu X., Tang W., Wang G., Hao H. Anal. Chem. 2012, 84:2995.
27. Zheng C., Hao H., Wang X., Wu X., Wang G., Sang G., Liang Y., Xie L., Xia C., Yao X. J. Mass Spectrom. 2009, 44:230.