title: Origin Discrimination of Osmanthus fragrans var. thunbergii Flowers using GC-MS and UPLC-PDA Combined with Multivariable Analysis Methods.
abstract: BACKGROUND
  Osmanthus fragrans flowers are used as folk medicine and additives for teas, beverages and foods. The metabolites of O. fragrans flowers from different geographical origins were inconsistent in some extent. Chromatography and mass spectrometry combined with multivariable analysis methods provides an approach for discriminating the origin of O. fragrans flowers.
  
  
  OBJECTIVE
  To discriminate the Osmanthus fragrans var. thunbergii flowers from different origins with the identified metabolites.
  
  
  METHODS
  GC-MS and UPLC-PDA were conducted to analyse the metabolites in O. fragrans var. thunbergii flowers (in total 150 samples). Principal component analysis (PCA), soft independent modelling of class analogy analysis (SIMCA) and random forest (RF) analysis were applied to group the GC-MS and UPLC-PDA data.
  
  
  RESULTS
  GC-MS identified 32 compounds common to all samples while UPLC-PDA/QTOF-MS identified 16 common compounds. PCA of the UPLC-PDA data generated a better clustering than PCA of the GC-MS data. Ten metabolites (six from GC-MS and four from UPLC-PDA) were selected as effective compounds for discrimination by PCA loadings. SIMCA and RF analysis were used to build classification models, and the RF model, based on the four effective compounds (caffeic acid derivative, acteoside, ligustroside and compound 15), yielded better results with the classification rate of 100% in the calibration set and 97.8% in the prediction set.
  
  
  CONCLUSIONS
  GC-MS and UPLC-PDA combined with multivariable analysis methods can discriminate the origin of Osmanthus fragrans var. thunbergii flowers. Copyright © 2017 John Wiley & Sons, Ltd.
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Fei
authors.initials: F
authors.lastname: Zhou
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Yajing
authors.initials: Y
authors.lastname: Zhao
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Jiyu
authors.initials: J
authors.lastname: Peng
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Yirong
authors.initials: Y
authors.lastname: Jiang
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Maiquan
authors.initials: M
authors.lastname: Li
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Jiang
authors.affiliation: College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Centre for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Zhejiang University, Hangzhou, 310058, China.
authors.forename: Baiyi
authors.identifier: http://orcid.org/0000-0002-7573-0679
authors.initials: B
authors.lastname: Lu
mesh_terms: D002851:Chromatography, High Pressure Liquid; D035264:Flowers / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry; D005843:Geography; D029592:Oleaceae / Q000737:chemistry*; D064209:Phytochemicals / Q000032:analysis*
chemical_list: D064209:Phytochemicals
keywords: Osmanthus fragrans var. thunbergii flower; metabolite; principal component analysis; random forest analysis; soft independent modelling of class analogy analysis