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Journal of Chinese Integrative Medicine ›› 2012, Vol. 10 ›› Issue (8): 894-900.doi: 10.3736/jcim20120810

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UPLC/Q-TOF-MS-based chemical profiling approach to evaluate the chemical constitution of Radix Aconiti Lateralis Preparata in the process of decoction

Si-si Zhou1,2, Zeng-chun Ma1(), Qian-de Liang1, Yu-guang Wang1, Hong-ling Tan1, Cheng-rong Xiao1, Bo-li Zhang3, Yue Gao1()   

  1. 1. Institute of Radiation Medicine, Academy of Military Medical Sciences, Beijing 100850, China
    2. Graduate School, Anhui Medical University, Hefei 230032, Anhui Province, China
    3. Tianjin University of Traditional Chinese Medicine, Tianjin 300193, China
  • Received:2012-02-16 Accepted:2012-03-13 Online:2012-08-20 Published:2018-08-15
  • Contact: Ma Zeng-chun,Gao Yue E-mail:13681121635@139.com;gaoyue@bmi.ac.cn

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Objective: An ultra-performance liquid chromatography coupled with time-of-flight mass spectrometry (UPLC/Q-TOF-MS)-based chemical analytic technology was used to evaluate the chemical constitution of Radix Aconiti Lateralis Preparata in the process of decocting, so as to provide a scientific basis for processing Radix Aconiti Lateralis Preparata.

Methods: Radix Aconiti Lateralis Preparata samples with different decocting time were detected using UPLC/Q-TOF-MS to create a fingerprint spectrum. The data of tR-m/z pairs, ion intensities and sample codes were processed by partial least squared-discriminant analysis (PLS-DA) to holistically compare the difference among these samples.

Results: : The contents of diester-diterpenoid alkaloid such as aconitine, mesaconitine and hypaconitine were higher between 2 to 10 min, while the contents of the lower toxic monoester-diterpenoid alkaloids such as benzoylaconine, benzoylmesaconine and benzoylhypaconine increased during the first 60 min, then their contents stabilized.

Conclusion: Selecting the correct processing time for Radix Aconiti Lateralis Preparata according to clinical indications is essential for attenuating toxicity and increasing efficiency. Within 30 min is the best time for diester-diterpenoid alkaloids as the main pharmacodynamic material, and within 60 min is the best time for monoester-diterpenoid alkaloids as the pharmacodynamic material of Radix Aconiti Lateralis Preparata.

Key words: Radix Aconiti Lateralis Preparata, decoction, UPLC/Q-TOF-MS

Figure 1

Representative chromatograms of Radix Aconiti Lateralis Preparata in the process of decocting monitored in ion mode "

Figure 2

Average representative chromatograms of Radix Aconiti Lateralis Preparata in the process of decocting monitored in ion mode "

Table 1

Components identified in the process of decocting of Radix Aconiti Lateralis Preparata monitored in positive ion mode"

Peak No. tR(min) Assigned identity Molecular formula [M+H]+ (m/z)
Mean
measured mass (D)		 Theoretical
exact mass (D)		 Mass
accuracy (×10-6）
1 4.04 Mesaconine C24H39O9N 486.269 7 486.270 3 –1.2
2 4.49 Carmichaeline C22H35O4N 378.265 7 378.264 4 3.4
3 4.82 Cammaconine C23H37O5N 408.274 7 408.275 0 –0.7
4 5.53 Fuziline C24H39O7N 454.279 2 454.280 5 –2.8
5 5.82 Neoline C24H39O6N 438.283 8 438.285 6 –4.1
6 6.79 Talatizamine C24H39O5N 422.289 1 422.290 6 –3.5
7 8.73 Acetyltalatizamine C26H41O6N 464.299 8 464.301 2 –3.0
8 8.89 10-OH-benzoylmesaconine C31H43O11N 606.291 7 606.291 4 0.5
9 11.08 Benzoylmesaconine C31H43O10N 590.297 7 590.296 5 2.0
10 11.71 Benzoylaconine C32H45O10N 604.312 6 604.312 2 0.7
11 12.04 Dehydrated benzoylmesaconine C31H41O9N 572.285 4 572.286 0 –1.0
12 12.36 10-OH-mesaconitine C33H45O12N 648.301 7 648.302 0 –0.5
13 12.58 Dehydrated benzoylhypaconine C31H41O8N 556.291 3 556.291 0 –0.5
14 12.93 Mesaconitine C33H45O11N 632.305 4 632.307 1 –2.6
15 13.19 Hypaconitine C33H45O10N 616.313 1 616.312 2 1.4
16 13.41 Deoxyaconitine C34H47O10N 630.324 7 630.327 8 –4.9

Figure 3

PLS-DA of Radix Aconiti Lateralis Preparata in the process of decocting obtained using Pareto scaling with mean centering monitoreda to k refer to the samples of Radix Aconiti Lateralis Preparata. PLS-DA: partial least squares-discriminant analysis."

Figure 4

PLS-DA-loadings of Radix Aconiti Lateralis Preparata in the process of decocting obtained using Pareto scaling with mean centering monitoredA (tR 12.08 min, m/z 574.301 2); B (tR 11.71min, m/z 604.312 6); C (tR 4.08 min, m/z 486.269 8); D (tR 8.89 min, m/z 606.291 7); E (tR 11.08 min, m/z 590.297 7); F (tR 12.04 min, m/z572.285 4) ; G (tR 13.19 min, m/z 616.313 1); H (tR 12.93 min, m/z 632.305 4); I (tR 13.41 min, m/z 630.324 7); J (tR 12.57 min, m/z 648.301 7); K (tR 12.96 min, m/z 662.316 7); L (tR 13.18 min, m/z 646.322 1). tR: retention time of molecular ion peak; PLS-DA: partial least squares-discriminant analysis."

Figure 5

Selected ion intensity trend PLS-DA-loadings of Radix Aconiti Lateralis Preparata in the process of decocting obtained using Pareto scaling with mean centering monitoredA (tR 12.08 min, m/z 574.301 2); B (tR 11.71 min, m/z 604.312 6); C (tR 4.08 min, m/z 486.269 8); D (tR 8.89 min, m/z 606.291 7); E (tR 11.08 min, m/z 590.297 7); F (tR 12.04 min, m/z 572.285 4) ; G (tR 13.19 min, m/z 616.313 1); H (tR 12.93 min, m/z 632.305 4); I (tR 13.41 min, m/z 630.324 7); J (tR 12.57 min, m/z 648.301 7); K (tR 12.96 min, m/z 662.316 7); L (tR13.18 min, m/z 646.322 1). a to k refer to the samples of Radix Aconiti Lateralis Preparata. tR: retention time of molecular ion peak; PLS-DA: partial least squares-discriminant analysis."

Figure 6

Diagram of change trend of pH value of Radix Aconiti Lateralis Preparata in the process of decocting"

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