Rapid Discrimination of Chemotypes of Cinnamomum camphora by Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry†

doi:10.7503/cjcu20150684

Abstract

Abstract:

Surface desorption atmospheric pressure chemical ionization mass spectrometry(SDAPCI-MS) was selected to detect five chemotypes of C. camphora leaves powder and the raw mass spectral fingerprints of the powder samples were obtained. Principal component analysis(PCA), cluster analysis(CA) and the back propagation artificial neural network technology(BP-ANN) were used to analyze the spectral information. The results showed that the SDAPCI-MS technique could got mass spectral fingerprints of C. camphora quickly in positive ion mode. The contribution rates of PC1, PC2, PC3 were 79.9%, 12.9% and 4.2%, respectively, with a total of 97.0% in PCA. The accuracy of discrimination of CA and BP-ANN of SDAPCI-MS was 100%.

Key words: Cinnamomum camphora, Chemotype, Surface desorption atmospheric pressure chemical ionization mass spectrometry(SDAPCI-MS), Multivariate analysis

CLC Number:

O657

TrendMD:

LIU Xingxing, FANG Xiaowei, HUANG Xueyong, ZHANG Tingting, CHEN Huanwen, LUO Liping. Rapid Discrimination of Chemotypes of Cinnamomum camphora by Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry^†[J]. Chem. J. Chinese Universities, 2016, 37(4): 654.

Figures/Tables 8

Fig.1 Schematic illustration of SDAPCI-MS of camphor leaves tablet

Fig.2 SDAPCI-MS spectral fingerprints of 5 chemotypes of C. camphora leaves ^(A) Linalool-type; (B) borneol-type; (C) camphora-type; (D) cineole-type; (E) isoborneol-type.

Fig.3 SDAPCI-MS2(A) and MS3(B) spectra of precursor ions of m/z 153

Fig.4 PCA results of 5 chemotypes of C. camphora leaves using SDAPCI-MS^ Linalool-type; borneol-type; camphora-type; cineole-type; isoborneol-type.

Fig.5 Corresponding PCA loading plots

Fig.6 Dendrogram of cluster analysis ^(A1—A5) Linalool-type; (B1—B5) borneol-type; (C1—C5) camphora-type; (D1—D5) isoborneol-type; (E1—E5) cineole-type.

Fig.7 Training procedure chart of BP network^Best validation performance is 1.0581×10-6 at epoch 110.

Table 1 Accuracy of C. camphora leaves using BP network

Set	Linalool-type		Borneol-type		Camphora-type		Isoborneol-type		Cineole-type
Set	Correct	Error	Correct	Error	Correct	Error	Correct	Error	Correct	Error
Training set	98	0	104	0	103	0	112	0	107	0
Test set	22	0	31	0	24	0	17	0	19	0
Validation set	30	0	15	0	23	0	21	0	24	0
All set	150	0	150	0	150	0	150	0	150	0

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